CID 28894442

N-(4-aminophenyl)-4-chloro-n-methylbenzamide

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CN(C1=CC=C(C=C1)N)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-17(13-8-6-12(16)7-9-13)14(18)10-2-4-11(15)5-3-10/h2-9H,16H2,1H3
InChIKey
GAKYGEWSJFIGNZ-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-4-chloro-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07894 158.2
[M+Na]+ 283.06088 166.0
[M-H]- 259.06438 166.0
[M+NH4]+ 278.10548 175.6
[M+K]+ 299.03482 161.6
[M+H-H2O]+ 243.06892 151.2
[M+HCOO]- 305.06986 179.4
[M+CH3COO]- 319.08551 202.0
[M+Na-2H]- 281.04633 161.9
[M]+ 260.07111 159.3
[M]- 260.07221 159.3
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.