PubChemLite - Indolizomycin (C17H23NO2)

Structural Information

Molecular Formula

SMILES

C/C=C(\C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2[C@]3(N1CC[C@@H]4[C@H]3O4)O

InChI

InChI=1S/C17H23NO2/c1-3-11(2)6-4-5-7-14-12-10-13(12)17(19)16-15(20-16)8-9-18(14)17/h3-7,12-16,19H,8-10H2,1-2H3/b6-4+,7-5+,11-3+/t12-,13+,14+,15-,16-,17+/m1/s1

InChIKey

HLRLKFALZVILBO-HRYKOHBRSA-N

Compound name

(1S,2R,4R,8S,9R,11S)-8-[(1E,3E,5E)-5-methylhepta-1,3,5-trienyl]-3-oxa-7-azatetracyclo[5.4.0.02,4.09,11]undecan-1-ol

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]+	274.18016	144.3
[M+Na]+	296.16210	155.5
[M+NH4]+	291.20670	153.7
[M+K]+	312.13604	153.6
[M-H]-	272.16560	158.0
[M+Na-2H]-	294.14755	150.8
[M]+	273.17233	151.8
[M]-	273.17343	151.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

274.18016

144.3

[M+Na]+

296.16210

155.5

[M+NH4]+

291.20670

153.7

[M+K]+

312.13604

153.6

[M-H]-

272.16560

158.0

[M+Na-2H]-

294.14755

150.8

[M]+

273.17233

151.8

[M]-

273.17343

151.8

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

Indolizomycin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe