CID 44255028

Cytochalasin z16

Structural Information

Molecular Formula
C28H33NO5
SMILES
C[C@H]1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@]2(C(=O)N[C@H]3CC4=CC=CC=C4)OC(=O)O/C=C/[C@@H](C1=O)C)C)C
InChI
InChI=1S/C28H33NO5/c1-17-9-8-12-22-15-19(3)20(4)24-23(16-21-10-6-5-7-11-21)29-26(31)28(22,24)34-27(32)33-14-13-18(2)25(17)30/h5-8,10-15,17-18,20,22-24H,9,16H2,1-4H3,(H,29,31)/b12-8+,14-13+/t17-,18-,20+,22-,23-,24-,28+/m0/s1
InChIKey
DDDUJNASCQCTDS-MXWWOFSUSA-N
Compound name
(1R,5E,7S,9S,11E,13S,16S,17S,18S)-18-benzyl-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,14-triene-3,8,20-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.23587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.24315 211.5
[M+Na]+ 486.22509 218.0
[M-H]- 462.22859 217.4
[M+NH4]+ 481.26969 218.0
[M+K]+ 502.19903 215.2
[M+H-H2O]+ 446.23313 206.9
[M+HCOO]- 508.23407 220.5
[M+CH3COO]- 522.24972 218.3
[M+Na-2H]- 484.21054 206.8
[M]+ 463.23532 208.0
[M]- 463.23642 208.0
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.