CID 12746775

36020-94-7

Structural Information

Molecular Formula
C16H15ClN2O2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CN
InChI
InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3
InChIKey
HQJSGBKPXYZTRN-UHFFFAOYSA-N
Compound name
2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

302.0822 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08948 169.2
[M+Na]+ 325.07142 176.0
[M-H]- 301.07492 176.8
[M+NH4]+ 320.11602 184.6
[M+K]+ 341.04536 171.8
[M+H-H2O]+ 285.07946 161.8
[M+HCOO]- 347.08040 189.2
[M+CH3COO]- 361.09605 210.2
[M+Na-2H]- 323.05687 170.8
[M]+ 302.08165 171.2
[M]- 302.08275 171.2
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

No patent data available for this compound.