CID 135666416

6985-95-1

Structural Information

Molecular Formula
C25H18N6O6
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)NC(=O)N5)O
InChI
InChI=1S/C25H18N6O6/c1-37-21-12-15(31(35)36)7-9-19(21)29-30-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)26-14-6-8-18-20(11-14)28-25(34)27-18/h2-12,32H,1H3,(H,26,33)(H2,27,28,34)
InChIKey
HECMZBWRWWVBJI-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methoxy-4-nitrophenyl)diazenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

498.12878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.13606 212.9
[M+Na]+ 521.11800 226.6
[M+NH4]+ 516.16260 216.8
[M+K]+ 537.09194 224.8
[M-H]- 497.12150 219.8
[M+Na-2H]- 519.10345 219.8
[M]+ 498.12823 216.3
[M]- 498.12933 216.3
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