CID 23233

Colchicine, oxo-

Structural Information

Molecular Formula
C22H23NO7
SMILES
CC(=O)N=C1CC=C2C=C(C(=C(C2C34C1=CC(=O)C(O3)(C=C4)OC)OC)OC)OC
InChI
InChI=1S/C22H23NO7/c1-12(24)23-15-7-6-13-10-16(26-2)19(27-3)20(28-4)18(13)21-8-9-22(29-5,30-21)17(25)11-14(15)21/h6,8-11,18H,7H2,1-5H3
InChIKey
SVRWZKYLWRLSHK-UHFFFAOYSA-N
Compound name
N-(3,4,5,14-tetramethoxy-13-oxo-17-oxatetracyclo[12.2.1.01,11.02,7]heptadeca-3,5,7,11,15-pentaen-10-ylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.14746 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.154736 192.7
[M+Na]+ 436.136678 200.9
[M-H]- 412.140184 201.7
[M+NH4]+ 431.181283 210.6
[M+K]+ 452.110618 203.0
[M+H-H2O]+ 396.144720 187.4
[M+HCOO]- 458.145661 210.0
[M+CH3COO]- 472.161311 230.2
[M+Na-2H]- 434.122126 197.5
[M]+ 413.14691142 200.0
[M]- 413.14800858 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.