CID 16793125

4-amino-2-chloro-n-cyclohexyl-n-methylbenzamide

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CN(C1CCCCC1)C(=O)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C14H19ClN2O/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(16)9-13(12)15/h7-9,11H,2-6,16H2,1H3
InChIKey
PJQHZLLJVRSICO-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-N-cyclohexyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.1186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 162.2
[M+Na]+ 289.10782 166.9
[M-H]- 265.11132 168.9
[M+NH4]+ 284.15242 179.2
[M+K]+ 305.08176 163.2
[M+H-H2O]+ 249.11586 155.3
[M+HCOO]- 311.11680 179.1
[M+CH3COO]- 325.13245 203.1
[M+Na-2H]- 287.09327 163.0
[M]+ 266.11805 158.9
[M]- 266.11915 158.9
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