CID 100175

N-(phenoxyacetyl)deacetylcolchicine

Structural Information

Molecular Formula
C28H29NO7
SMILES
COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C28H29NO7/c1-32-23-13-11-19-20(15-22(23)30)21(29-25(31)16-36-18-8-6-5-7-9-18)12-10-17-14-24(33-2)27(34-3)28(35-4)26(17)19/h5-9,11,13-15,21H,10,12,16H2,1-4H3,(H,29,31)
InChIKey
GQILPBLGDOWLSP-UHFFFAOYSA-N
Compound name
2-phenoxy-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

0
References

1
Patents

491.1944 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.20168 219.6
[M+Na]+ 514.18362 226.3
[M-H]- 490.18712 230.2
[M+NH4]+ 509.22822 227.9
[M+K]+ 530.15756 231.0
[M+H-H2O]+ 474.19166 215.2
[M+HCOO]- 536.19260 236.1
[M+CH3COO]- 550.20825 243.9
[M+Na-2H]- 512.16907 219.4
[M]+ 491.19385 222.8
[M]- 491.19495 222.8
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