CID 5999190

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

Structural Information

Molecular Formula
C19H27NO
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)NC2CCCCC2
InChI
InChI=1S/C19H27NO/c1-15(2)14-17-10-8-16(9-11-17)12-13-19(21)20-18-6-4-3-5-7-18/h8-13,15,18H,3-7,14H2,1-2H3,(H,20,21)/b13-12+
InChIKey
RLNSOBATITWVTB-OUKQBFOZSA-N
Compound name
(E)-N-cyclohexyl-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 172.5
[M+Na]+ 308.19848 174.0
[M-H]- 284.20198 177.2
[M+NH4]+ 303.24308 187.3
[M+K]+ 324.17242 169.8
[M+H-H2O]+ 268.20652 164.3
[M+HCOO]- 330.20746 190.5
[M+CH3COO]- 344.22311 204.9
[M+Na-2H]- 306.18393 172.0
[M]+ 285.20871 167.3
[M]- 285.20981 167.3
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.