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]+ 414.15474 189.8
[M+Na]+ 436.13668 198.2
[M+NH4]+ 431.18128 197.7
[M+K]+ 452.11062 193.0
[M-H]- 412.14018 191.6
[M+Na-2H]- 434.12213 192.3
[M]+ 413.14691 191.7
[M]- 413.14801 191.7
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.