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 192.7
[M+Na]+ 436.13668 200.9
[M-H]- 412.14018 201.7
[M+NH4]+ 431.18128 210.6
[M+K]+ 452.11062 203.0
[M+H-H2O]+ 396.14472 187.4
[M+HCOO]- 458.14566 210.0
[M+CH3COO]- 472.16131 230.2
[M+Na-2H]- 434.12213 197.5
[M]+ 413.14691 200.0
[M]- 413.14801 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.