CID 100171

O-ethylcolchifoline

Structural Information

Molecular Formula
C24H29NO7
SMILES
CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C24H29NO7/c1-6-32-13-21(27)25-17-9-7-14-11-20(29-3)23(30-4)24(31-5)22(14)15-8-10-19(28-2)18(26)12-16(15)17/h8,10-12,17H,6-7,9,13H2,1-5H3,(H,25,27)
InChIKey
RSTAAABJXUCDEQ-UHFFFAOYSA-N
Compound name
2-ethoxy-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

443.1944 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20168 203.6
[M+Na]+ 466.18362 210.5
[M-H]- 442.18712 211.9
[M+NH4]+ 461.22822 213.9
[M+K]+ 482.15756 215.7
[M+H-H2O]+ 426.19166 199.9
[M+HCOO]- 488.19260 220.3
[M+CH3COO]- 502.20825 237.8
[M+Na-2H]- 464.16907 203.7
[M]+ 443.19385 208.0
[M]- 443.19495 208.0
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.