CID 6002626

N-(4-chlorobenzyl)-3-(4-isobutylphenyl)acrylamide

Structural Information

Molecular Formula
C20H22ClNO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H22ClNO/c1-15(2)13-17-5-3-16(4-6-17)9-12-20(23)22-14-18-7-10-19(21)11-8-18/h3-12,15H,13-14H2,1-2H3,(H,22,23)/b12-9+
InChIKey
ISIQAXMEPJVWRK-FMIVXFBMSA-N
Compound name
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13898 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 179.9
[M+Na]+ 350.12820 185.9
[M-H]- 326.13170 185.9
[M+NH4]+ 345.17280 194.5
[M+K]+ 366.10214 179.0
[M+H-H2O]+ 310.13624 172.4
[M+HCOO]- 372.13718 197.4
[M+CH3COO]- 386.15283 211.6
[M+Na-2H]- 348.11365 180.7
[M]+ 327.13843 182.2
[M]- 327.13953 182.2
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.