CID 162468

2-propenamide, 2-methyl-n-[4-(phenylamino)phenyl]-

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(=C)C(=O)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O/c1-12(2)16(19)18-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13/h3-11,17H,1H2,2H3,(H,18,19)
InChIKey
GFSJJVJWCAMZEV-UHFFFAOYSA-N
Compound name
N-(4-anilinophenyl)-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1925
Patents

252.12627 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 158.6
[M+Na]+ 275.115488 163.6
[M-H]- 251.118994 165.1
[M+NH4]+ 270.160093 174.6
[M+K]+ 291.089428 159.5
[M+H-H2O]+ 235.123530 150.6
[M+HCOO]- 297.124471 183.0
[M+CH3COO]- 311.140121 200.5
[M+Na-2H]- 273.100936 163.2
[M]+ 252.12572142 156.1
[M]- 252.12681858 156.1
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