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]+ 286.216536 172.5
[M+Na]+ 308.198478 174.0
[M-H]- 284.201984 177.2
[M+NH4]+ 303.243083 187.3
[M+K]+ 324.172418 169.8
[M+H-H2O]+ 268.206520 164.3
[M+HCOO]- 330.207461 190.5
[M+CH3COO]- 344.223111 204.9
[M+Na-2H]- 306.183926 172.0
[M]+ 285.20871142 167.3
[M]- 285.20980858 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.