CID 100132

Colchifoline

Structural Information

Molecular Formula
C22H25NO7
SMILES
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CO
InChI
InChI=1S/C22H25NO7/c1-27-17-8-6-13-14(10-16(17)25)15(23-19(26)11-24)7-5-12-9-18(28-2)21(29-3)22(30-4)20(12)13/h6,8-10,15,24H,5,7,11H2,1-4H3,(H,23,26)
InChIKey
DIELAJDYLJKYSH-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(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

0
Patents

415.16312 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17040 196.3
[M+Na]+ 438.15234 203.4
[M-H]- 414.15584 203.8
[M+NH4]+ 433.19694 207.0
[M+K]+ 454.12628 208.6
[M+H-H2O]+ 398.16038 193.0
[M+HCOO]- 460.16132 212.3
[M+CH3COO]- 474.17697 231.6
[M+Na-2H]- 436.13779 196.8
[M]+ 415.16257 198.8
[M]- 415.16367 198.8
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