CID 764659

Nsc191392

Structural Information

Molecular Formula
C16H14ClNO
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14ClNO/c1-12-14(17)8-5-9-15(12)18-16(19)11-10-13-6-3-2-4-7-13/h2-11H,1H3,(H,18,19)/b11-10+
InChIKey
JHOSABSCZPNQBT-ZHACJKMWSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0764 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.083676 161.6
[M+Na]+ 294.065618 169.6
[M-H]- 270.069124 168.2
[M+NH4]+ 289.110223 178.5
[M+K]+ 310.039558 163.1
[M+H-H2O]+ 254.073660 154.8
[M+HCOO]- 316.074601 181.4
[M+CH3COO]- 330.090251 198.8
[M+Na-2H]- 292.051066 165.7
[M]+ 271.07585142 162.9
[M]- 271.07694858 162.9
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.