PubChemLite - Oxamicetin (C29H42N6O10)

Structural Information

Molecular Formula

SMILES

CC1C(C(C(C(O1)OC2C(OC(CC2O)N3C=CC(=NC3=O)NC(=O)C4=CC=C(C=C4)NC(=O)C(C)(CO)N)C)O)O)N(C)C

InChI

InChI=1S/C29H42N6O10/c1-14-21(34(4)5)22(38)23(39)26(44-14)45-24-15(2)43-20(12-18(24)37)35-11-10-19(33-28(35)42)32-25(40)16-6-8-17(9-7-16)31-27(41)29(3,30)13-36/h6-11,14-15,18,20-24,26,36-39H,12-13,30H2,1-5H3,(H,31,41)(H,32,33,40,42)

InChIKey

UWVPICJGEAEOKF-UHFFFAOYSA-N

Compound name

4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide

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]+	635.30354	241.3
[M+Na]+	657.28548	243.8
[M+NH4]+	652.33008	243.3
[M+K]+	673.25942	243.8
[M-H]-	633.28898	236.6
[M+Na-2H]-	655.27093	259.6
[M]+	634.29571	241.4
[M]-	634.29681	241.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

635.30354

241.3

[M+Na]+

657.28548

243.8

[M+NH4]+

652.33008

243.3

[M+K]+

673.25942

243.8

[M-H]-

633.28898

236.6

[M+Na-2H]-

655.27093

259.6

[M]+

634.29571

241.4

[M]-

634.29681

241.4

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

Oxamicetin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe