CID 210193

Brn 2817437

Structural Information

Molecular Formula
C21H20N2O
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C21H20N2O/c1-15-9-8-14-19(16(15)2)23-20-13-7-6-12-18(20)21(24)22-17-10-4-3-5-11-17/h3-14,23H,1-2H3,(H,22,24)
InChIKey
HWSMIKBIMTXWSO-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylanilino)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.15756 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 176.1
[M+Na]+ 339.14678 182.0
[M-H]- 315.15028 185.8
[M+NH4]+ 334.19138 189.6
[M+K]+ 355.12072 176.4
[M+H-H2O]+ 299.15482 166.5
[M+HCOO]- 361.15576 200.8
[M+CH3COO]- 375.17141 213.8
[M+Na-2H]- 337.13223 180.4
[M]+ 316.15701 174.8
[M]- 316.15811 174.8
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