CID 4438343

4-chloro-n-(2-methyl-4-((2-methylphenyl)diazenyl)phenyl)benzamide

Structural Information

Molecular Formula
C21H18ClN3O
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C21H18ClN3O/c1-14-5-3-4-6-20(14)25-24-18-11-12-19(15(2)13-18)23-21(26)16-7-9-17(22)10-8-16/h3-13H,1-2H3,(H,23,26)
InChIKey
AKKZDNNCIKZKGE-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.11383 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12111 188.6
[M+Na]+ 386.10305 196.5
[M-H]- 362.10655 200.9
[M+NH4]+ 381.14765 202.3
[M+K]+ 402.07699 190.4
[M+H-H2O]+ 346.11109 178.7
[M+HCOO]- 408.11203 212.8
[M+CH3COO]- 422.12768 226.9
[M+Na-2H]- 384.08850 192.6
[M]+ 363.11328 192.3
[M]- 363.11438 192.3
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.