CID 6435252

(e)-n-methyl-3-(3,4,5-trimethoxyphenyl) acrylamide (1a)

Structural Information

Molecular Formula
C13H17NO4
SMILES
CNC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
InChIKey
IWUMZEUJTOEUIF-AATRIKPKSA-N
Compound name
(E)-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.3
[M+Na]+ 274.104968 163.1
[M-H]- 250.108474 159.4
[M+NH4]+ 269.149573 172.8
[M+K]+ 290.078908 161.8
[M+H-H2O]+ 234.113010 148.7
[M+HCOO]- 296.113951 179.9
[M+CH3COO]- 310.129601 197.8
[M+Na-2H]- 272.090416 158.5
[M]+ 251.11520142 160.7
[M]- 251.11629858 160.7
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

No patent data available for this compound.