CID 80859

6410-39-5

Structural Information

Molecular Formula
C24H17ClN4O5
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C24H17ClN4O5/c1-34-21-9-5-4-8-19(21)26-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)28-27-18-11-10-15(25)13-20(18)29(32)33/h2-13,30H,1H3,(H,26,31)
InChIKey
UEOKHCPTIWVVEV-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-nitrophenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

476.08875 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.09603 210.4
[M+Na]+ 499.07797 226.2
[M+NH4]+ 494.12257 217.0
[M+K]+ 515.05191 219.8
[M-H]- 475.08147 219.9
[M+Na-2H]- 497.06342 219.8
[M]+ 476.08820 215.5
[M]- 476.08930 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