CID 895895

Nsc204179

Structural Information

Molecular Formula
C16H14ClNO
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14ClNO/c1-12-7-9-14(17)11-15(12)18-16(19)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-8+
InChIKey
PKTLUZBBQKJBAV-CSKARUKUSA-N
Compound name
(E)-N-(5-chloro-2-methylphenyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

271.0764 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08368 162.0
[M+Na]+ 294.06562 177.3
[M+NH4]+ 289.11022 171.0
[M+K]+ 310.03956 168.0
[M-H]- 270.06912 167.3
[M+Na-2H]- 292.05107 171.5
[M]+ 271.07585 166.1
[M]- 271.07695 166.1
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

patents stripe