CID 16413846

(2z)-n-(4-tert-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide

Structural Information

Molecular Formula
C19H20ClNO
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)/C=C\C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H20ClNO/c1-19(2,3)15-7-11-17(12-8-15)21-18(22)13-6-14-4-9-16(20)10-5-14/h4-13H,1-3H3,(H,21,22)/b13-6-
InChIKey
PZVUZUUMFKKZAV-MLPAPPSSSA-N
Compound name
(Z)-N-(4-tert-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12335 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 176.5
[M+Na]+ 336.11257 190.8
[M+NH4]+ 331.15717 184.7
[M+K]+ 352.08651 182.0
[M-H]- 312.11607 181.1
[M+Na-2H]- 334.09802 185.1
[M]+ 313.12280 180.3
[M]- 313.12390 180.3
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.