CID 210194

Brn 2820644

Structural Information

Molecular Formula
C21H19ClN2O
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3Cl)C
InChI
InChI=1S/C21H19ClN2O/c1-14-8-7-13-18(15(14)2)23-19-11-5-3-9-16(19)21(25)24-20-12-6-4-10-17(20)22/h3-13,23H,1-2H3,(H,24,25)
InChIKey
NDKNYKMSTIKMRQ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(2,3-dimethylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1186 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12588 184.2
[M+Na]+ 373.10782 191.9
[M-H]- 349.11132 194.0
[M+NH4]+ 368.15242 197.5
[M+K]+ 389.08176 184.7
[M+H-H2O]+ 333.11586 175.4
[M+HCOO]- 395.11680 204.4
[M+CH3COO]- 409.13245 218.5
[M+Na-2H]- 371.09327 187.1
[M]+ 350.11805 185.9
[M]- 350.11915 185.9
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

No patent data available for this compound.