CID 80683

6358-47-0

Structural Information

Molecular Formula
C24H17N5O6
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C24H17N5O6/c1-14-9-10-18(29(34)35)13-21(14)26-27-22-19-8-3-2-5-15(19)11-20(23(22)30)24(31)25-16-6-4-7-17(12-16)28(32)33/h2-13,30H,1H3,(H,25,31)
InChIKey
VOQHKBYZRLXPBY-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

471.1179 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.12518 210.9
[M+Na]+ 494.10712 225.2
[M+NH4]+ 489.15172 216.3
[M+K]+ 510.08106 222.6
[M-H]- 470.11062 220.9
[M+Na-2H]- 492.09257 219.0
[M]+ 471.11735 215.4
[M]- 471.11845 215.4
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