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]+ 267.125876 162.2
[M+Na]+ 289.107818 166.9
[M-H]- 265.111324 168.9
[M+NH4]+ 284.152423 179.2
[M+K]+ 305.081758 163.2
[M+H-H2O]+ 249.115860 155.3
[M+HCOO]- 311.116801 179.1
[M+CH3COO]- 325.132451 203.1
[M+Na-2H]- 287.093266 163.0
[M]+ 266.11805142 158.9
[M]- 266.11914858 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