CID 3085884

72928-10-0

Structural Information

Molecular Formula
C26H22ClN3O2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C)C
InChI
InChI=1S/C26H22ClN3O2/c1-15-8-10-22(16(2)12-15)28-26(32)21-14-18-6-4-5-7-20(18)24(25(21)31)30-29-23-11-9-19(27)13-17(23)3/h4-14,31H,1-3H3,(H,28,32)
InChIKey
AKIQNEPAISLMBH-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)diazenyl]-N-(2,4-dimethylphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

443.14005 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14733 210.5
[M+Na]+ 466.12927 219.4
[M-H]- 442.13277 222.7
[M+NH4]+ 461.17387 221.6
[M+K]+ 482.10321 212.5
[M+H-H2O]+ 426.13731 200.1
[M+HCOO]- 488.13825 231.0
[M+CH3COO]- 502.15390 220.3
[M+Na-2H]- 464.11472 212.6
[M]+ 443.13950 215.5
[M]- 443.14060 215.5
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