CID 23758

N-methylcolchicine

Structural Information

Molecular Formula
C23H27NO6
SMILES
CC(=O)N(C)[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C23H27NO6/c1-13(25)24(2)17-9-7-14-11-20(28-4)22(29-5)23(30-6)21(14)15-8-10-19(27-3)18(26)12-16(15)17/h8,10-12,17H,7,9H2,1-6H3/t17-/m0/s1
InChIKey
AHZFWPXTSZCLDJ-KRWDZBQOSA-N
Compound name
N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

413.18384 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19112 195.7
[M+Na]+ 436.17306 203.4
[M-H]- 412.17656 205.3
[M+NH4]+ 431.21766 207.7
[M+K]+ 452.14700 208.9
[M+H-H2O]+ 396.18110 192.6
[M+HCOO]- 458.18204 213.1
[M+CH3COO]- 472.19769 236.3
[M+Na-2H]- 434.15851 195.6
[M]+ 413.18329 199.7
[M]- 413.18439 199.7
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