PubChemLite - Tetramycin (C35H53NO13)

Structural Information

Molecular Formula

SMILES

CCC1/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C/C=C/C(=O)OC1C)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

InChI

InChI=1S/C35H53NO13/c1-4-22-12-9-7-5-6-8-10-14-25(48-34-32(42)30(36)31(41)21(3)47-34)17-27-29(33(43)44)26(39)19-35(45,49-27)18-24(38)16-23(37)13-11-15-28(40)46-20(22)2/h5-12,14-15,20-27,29-32,34,37-39,41-42,45H,4,13,16-19,36H2,1-3H3,(H,43,44)/b7-5+,8-6+,12-9+,14-10+,15-11+

InChIKey

DVWJFTGEISXVSH-BTWJUTKQSA-N

Compound name

(7E,13E,15E,17E,19E)-21-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-12-ethyl-1,3,5,25-tetrahydroxy-11-methyl-9-oxo-10,27-dioxabicyclo[21.3.1]heptacosa-7,13,15,17,19-pentaene-24-carboxylic acid

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]+	696.35898	265.7
[M+Na]+	718.34092	268.7
[M-H]-	694.34442	260.5
[M+NH4]+	713.38552	265.1
[M+K]+	734.31486	256.5
[M+H-H2O]+	678.34896	243.8
[M+HCOO]-	740.34990	266.4
[M+CH3COO]-	754.36555	269.8
[M+Na-2H]-	716.32637	287.0
[M]+	695.35115	273.7
[M]-	695.35225	273.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

696.35898

265.7

[M+Na]+

718.34092

268.7

[M-H]-

694.34442

260.5

[M+NH4]+

713.38552

265.1

[M+K]+

734.31486

256.5

[M+H-H2O]+

678.34896

243.8

[M+HCOO]-

740.34990

266.4

[M+CH3COO]-

754.36555

269.8

[M+Na-2H]-

716.32637

287.0

[M]+

695.35115

273.7

[M]-

695.35225

273.7

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

Tetramycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe