CID 100133

N-hydroxyacetyldemecolcine

Structural Information

Molecular Formula
C23H27NO7
SMILES
CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C(=O)CO
InChI
InChI=1S/C23H27NO7/c1-24(20(27)12-25)16-8-6-13-10-19(29-3)22(30-4)23(31-5)21(13)14-7-9-18(28-2)17(26)11-15(14)16/h7,9-11,16,25H,6,8,12H2,1-5H3
InChIKey
IMFKEFSPNMKGLP-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methyl-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

0
Patents

429.17874 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18602 198.6
[M+Na]+ 452.16796 205.6
[M-H]- 428.17146 207.1
[M+NH4]+ 447.21256 209.4
[M+K]+ 468.14190 211.7
[M+H-H2O]+ 412.17600 195.3
[M+HCOO]- 474.17694 214.8
[M+CH3COO]- 488.19259 236.3
[M+Na-2H]- 450.15341 198.4
[M]+ 429.17819 202.3
[M]- 429.17929 202.3
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

No patent data available for this compound.