14-oh clarithromycin (C38H69NO14)

Structural Information

Molecular Formula

SMILES

CCC1(C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O)O

InChI

InChI=1S/C38H69NO14/c1-15-38(46)37(10,45)30(42)21(4)27(40)19(2)17-36(9,48-14)32(52-34-28(41)25(39(11)12)16-20(3)49-34)22(5)29(23(6)33(44)53-38)51-26-18-35(8,47-13)31(43)24(7)50-26/h19-26,28-32,34,41-43,45-46H,15-18H2,1-14H3

InChIKey

AMGNANCLNVMRBV-UHFFFAOYSA-N

Compound name

6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13,14-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	764.479076	259.3
[M+Na]+	786.461018	263.9
[M-H]-	762.464524	256.4
[M+NH4]+	781.505623	259.6
[M+K]+	802.434958	244.0
[M+H-H2O]+	746.469060	245.5
[M+HCOO]-	808.470001	261.2
[M+CH3COO]-	822.485651	293.9
[M+Na-2H]-	784.446466	288.8
[M]+	763.47125142	263.7
[M]-	763.47234858	263.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

764.479076

259.3

[M+Na]+

786.461018

263.9

[M-H]-

762.464524

256.4

[M+NH4]+

781.505623

259.6

[M+K]+

802.434958

244.0

[M+H-H2O]+

746.469060

245.5

[M+HCOO]-

808.470001

261.2

[M+CH3COO]-

822.485651

293.9

[M+Na-2H]-

784.446466

288.8

[M]+

763.47125142

263.7

[M]-

763.47234858

263.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

14-oh clarithromycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe