PubChemLite - Dihydrocytochalasin b (C29H39NO5)

Structural Information

Molecular Formula

SMILES

CC1CCCC(CCC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O

InChI

InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)

InChIKey

WIULKAASLBZREV-UHFFFAOYSA-N

Compound name

19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicos-12-ene-3,21-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]+	482.29012	215.2
[M+Na]+	504.27206	223.7
[M+NH4]+	499.31666	220.5
[M+K]+	520.24600	217.9
[M-H]-	480.27556	219.2
[M+Na-2H]-	502.25751	216.0
[M]+	481.28229	217.0
[M]-	481.28339	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.29012

215.2

[M+Na]+

504.27206

223.7

[M+NH4]+

499.31666

220.5

[M+K]+

520.24600

217.9

[M-H]-

480.27556

219.2

[M+Na-2H]-

502.25751

216.0

[M]+

481.28229

217.0

[M]-

481.28339

217.0

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

Dihydrocytochalasin b

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe