CID 120712

Colchicide.hcl

Structural Information

Molecular Formula
C21H23NO5
SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)OC
InChI
InChI=1S/C21H23NO5/c1-12(23)22-17-9-8-13-10-18(25-2)20(26-3)21(27-4)19(13)15-7-5-6-14(24)11-16(15)17/h5-7,10-11,17H,8-9H2,1-4H3,(H,22,23)
InChIKey
NXPCQFIROMOQEV-UHFFFAOYSA-N
Compound name
N-(1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

369.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.3
[M+Na]+ 392.14684 193.8
[M+NH4]+ 387.19144 191.3
[M+K]+ 408.12078 191.0
[M-H]- 368.15034 188.4
[M+Na-2H]- 390.13229 189.0
[M]+ 369.15707 188.5
[M]- 369.15817 188.5
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

patents stripe