CID 25113851

852379-28-3

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC1CCC(C(C1)C(=O)NC2=CC=C(C=C2)CC#N)C(C)C
InChI
InChI=1S/C19H26N2O/c1-13(2)17-9-4-14(3)12-18(17)19(22)21-16-7-5-15(6-8-16)10-11-20/h5-8,13-14,17-18H,4,9-10,12H2,1-3H3,(H,21,22)
InChIKey
FPJRGEOLQICYQZ-UHFFFAOYSA-N
Compound name
N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1950
Patents

298.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 175.8
[M+Na]+ 321.19372 185.9
[M+NH4]+ 316.23832 179.9
[M+K]+ 337.16766 175.9
[M-H]- 297.19722 172.4
[M+Na-2H]- 319.17917 178.2
[M]+ 298.20395 175.3
[M]- 298.20505 175.3
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

patents stripe