CID 5351303

Cytochalasin h

Structural Information

Molecular Formula
C30H39NO5
SMILES
CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
InChI
InChI=1S/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+
InChIKey
NAEWXXDGBKTIMN-BBXOWAOSSA-N
Compound name
[(3E,9E)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

22
References

356
Patents

493.28284 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.29012 218.0
[M+Na]+ 516.27206 226.7
[M+NH4]+ 511.31666 224.4
[M+K]+ 532.24600 219.0
[M-H]- 492.27556 219.7
[M+Na-2H]- 514.25751 220.7
[M]+ 493.28229 219.4
[M]- 493.28339 219.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.