CID 18397

Colchiceinamid

Structural Information

Molecular Formula
C21H24N2O5
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC
InChI
InChI=1S/C21H24N2O5/c1-11(24)23-16-8-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-7-15(22)17(25)10-14(13)16/h6-7,9-10,16H,5,8H2,1-4H3,(H2,22,25)(H,23,24)/t16-/m0/s1
InChIKey
JWDFWIZNGSOUGC-INIZCTEOSA-N
Compound name
N-[(7S)-10-amino-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

3
References

267
Patents

384.16852 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17580 191.8
[M+Na]+ 407.15774 197.5
[M+NH4]+ 402.20234 195.3
[M+K]+ 423.13168 195.1
[M-H]- 383.16124 193.0
[M+Na-2H]- 405.14319 192.6
[M]+ 384.16797 192.8
[M]- 384.16907 192.8
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