CID 6106343

N-benzyl-3-(2,4-dimethylphenyl)acrylamide

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC(=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2)C
InChI
InChI=1S/C18H19NO/c1-14-8-9-17(15(2)12-14)10-11-18(20)19-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,19,20)/b11-10+
InChIKey
NVWRYECKOJQHOR-ZHACJKMWSA-N
Compound name
(E)-N-benzyl-3-(2,4-dimethylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 163.6
[M+Na]+ 288.135888 169.9
[M-H]- 264.139394 170.1
[M+NH4]+ 283.180493 179.9
[M+K]+ 304.109828 164.9
[M+H-H2O]+ 248.143930 155.7
[M+HCOO]- 310.144871 187.3
[M+CH3COO]- 324.160521 201.1
[M+Na-2H]- 286.121336 167.2
[M]+ 265.14612142 163.4
[M]- 265.14721858 163.4
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.