CID 6154037

Cintriamide

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N
InChI
InChI=1S/C12H15NO4/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H2,13,14)/b5-4+
InChIKey
LRLKZVMLJBNNPE-SNAWJCMRSA-N
Compound name
(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

549
Patents

237.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 151.1
[M+Na]+ 260.089328 159.3
[M-H]- 236.092834 154.8
[M+NH4]+ 255.133933 168.8
[M+K]+ 276.063268 157.8
[M+H-H2O]+ 220.097370 144.7
[M+HCOO]- 282.098311 175.4
[M+CH3COO]- 296.113961 194.9
[M+Na-2H]- 258.074776 153.7
[M]+ 237.09956142 155.2
[M]- 237.10065858 155.2
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