CID 109538

Einecs 268-686-6

Structural Information

Molecular Formula
C31H22Cl2N4O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=C(C=CC(=C5)Cl)Cl)O
InChI
InChI=1S/C31H22Cl2N4O4/c1-41-27-14-11-19(30(39)34-21-8-3-2-4-9-21)16-26(27)36-37-28-22-10-6-5-7-18(22)15-23(29(28)38)31(40)35-25-17-20(32)12-13-24(25)33/h2-17,38H,1H3,(H,34,39)(H,35,40)
InChIKey
SIEHQRUVSSLCHZ-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

584.1018 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.10908 238.1
[M+Na]+ 607.09102 244.6
[M-H]- 583.09452 251.6
[M+NH4]+ 602.13562 242.6
[M+K]+ 623.06496 238.7
[M+H-H2O]+ 567.09906 226.3
[M+HCOO]- 629.10000 253.5
[M+CH3COO]- 643.11565 244.7
[M+Na-2H]- 605.07647 239.8
[M]+ 584.10125 245.1
[M]- 584.10235 245.1
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.