PubChemLite - Cytochalasin f (C29H37NO5)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@H]4[C@](O4)([C@H]([C@H]2[C@@H](NC3=O)CC5=CC=CC=C5)C)C)O

InChI

InChI=1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8+,16-15+/t18-,19+,21-,22+,23+,25+,26+,28-,29-/m1/s1

InChIKey

CXWYFIYZAZBQGQ-QJMMVEIUSA-N

Compound name

(1S,4E,6R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-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]+	480.27446	208.7
[M+Na]+	502.25640	221.4
[M+NH4]+	497.30100	217.7
[M+K]+	518.23034	214.5
[M-H]-	478.25990	222.3
[M+Na-2H]-	500.24185	214.6
[M]+	479.26663	215.6
[M]-	479.26773	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.27446

208.7

[M+Na]+

502.25640

221.4

[M+NH4]+

497.30100

217.7

[M+K]+

518.23034

214.5

[M-H]-

478.25990

222.3

[M+Na-2H]-

500.24185

214.6

[M]+

479.26663

215.6

[M]-

479.26773

215.6

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

Cytochalasin f

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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