CID 148268

Colchicosamide

Structural Information

Molecular Formula
C26H32N2O10
SMILES
CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C26H32N2O10/c1-11(30)28-16-7-4-12-8-18(37-26-23(34)22(33)21(32)19(10-29)38-26)24(35-2)25(36-3)20(12)13-5-6-15(27)17(31)9-14(13)16/h5-6,8-9,16,19,21-23,26,29,32-34H,4,7,10H2,1-3H3,(H2,27,31)(H,28,30)/t16-,19+,21+,22-,23+,26+/m0/s1
InChIKey
CENZECKWJXZRDO-CQPGNPNMSA-N
Compound name
N-[(7S)-10-amino-1,2-dimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

532.2057 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.21298 227.2
[M+Na]+ 555.19492 230.0
[M+NH4]+ 550.23952 227.5
[M+K]+ 571.16886 229.8
[M-H]- 531.19842 227.8
[M+Na-2H]- 553.18037 223.3
[M]+ 532.20515 227.4
[M]- 532.20625 227.4
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

patents stripe