CID 172875

Einecs 275-871-5

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H17N3O2/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20(25)15-5-3-2-4-6-15/h2-13,24H,1H3,(H,21,25)
InChIKey
HDKQOAPPVFUKFN-UHFFFAOYSA-N
Compound name
N-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.13208 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 177.6
[M+Na]+ 354.12130 183.6
[M-H]- 330.12480 188.8
[M+NH4]+ 349.16590 190.6
[M+K]+ 370.09524 179.2
[M+H-H2O]+ 314.12934 167.2
[M+HCOO]- 376.13028 205.4
[M+CH3COO]- 390.14593 219.1
[M+Na-2H]- 352.10675 183.3
[M]+ 331.13153 177.6
[M]- 331.13263 177.6
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