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 175.4
[M+Na]+ 336.11257 182.7
[M-H]- 312.11607 181.9
[M+NH4]+ 331.15717 190.9
[M+K]+ 352.08651 176.0
[M+H-H2O]+ 296.12061 168.6
[M+HCOO]- 358.12155 192.7
[M+CH3COO]- 372.13720 207.4
[M+Na-2H]- 334.09802 178.7
[M]+ 313.12280 177.4
[M]- 313.12390 177.4
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.