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]+ 464.243146 211.5
[M+Na]+ 486.225088 218.0
[M-H]- 462.228594 217.4
[M+NH4]+ 481.269693 218.0
[M+K]+ 502.199028 215.2
[M+H-H2O]+ 446.233130 206.9
[M+HCOO]- 508.234071 220.5
[M+CH3COO]- 522.249721 218.3
[M+Na-2H]- 484.210536 206.8
[M]+ 463.23532142 208.0
[M]- 463.23641858 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.