CID 24752728

945714-67-0

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
InChIKey
XDFKWGIBQMHSOH-UHFFFAOYSA-N
Compound name
N-benzyl-4-chloro-N-cyclohexylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

69
References

140
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 178.4
[M+Na]+ 350.12820 181.6
[M-H]- 326.13170 187.6
[M+NH4]+ 345.17280 192.4
[M+K]+ 366.10214 176.2
[M+H-H2O]+ 310.13624 169.3
[M+HCOO]- 372.13718 194.1
[M+CH3COO]- 386.15283 211.3
[M+Na-2H]- 348.11365 179.8
[M]+ 327.13843 175.9
[M]- 327.13953 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe