CID 679480

4-amino-n-cyclohexylbenzamide

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CCC(CC1)NC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H18N2O/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h6-9,12H,1-5,14H2,(H,15,16)
InChIKey
KAESCVXWIWIQKP-UHFFFAOYSA-N
Compound name
4-amino-N-cyclohexylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

218.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 149.8
[M+Na]+ 241.131118 153.0
[M-H]- 217.134624 155.0
[M+NH4]+ 236.175723 166.8
[M+K]+ 257.105058 150.0
[M+H-H2O]+ 201.139160 142.3
[M+HCOO]- 263.140101 171.1
[M+CH3COO]- 277.155751 191.8
[M+Na-2H]- 239.116566 153.2
[M]+ 218.14135142 142.2
[M]- 218.14244858 142.2
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