CID 106302

Einecs 268-030-9

Structural Information

Molecular Formula
C25H20N4O6
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4OC)O
InChI
InChI=1S/C25H20N4O6/c1-34-21-10-6-5-9-19(21)26-25(31)18-13-15-7-3-4-8-17(15)23(24(18)30)28-27-20-14-16(29(32)33)11-12-22(20)35-2/h3-14,30H,1-2H3,(H,26,31)
InChIKey
FCYFCQMBEXQZBR-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13828 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14556 208.7
[M+Na]+ 495.12750 212.3
[M-H]- 471.13100 220.2
[M+NH4]+ 490.17210 215.2
[M+K]+ 511.10144 205.6
[M+H-H2O]+ 455.13554 200.5
[M+HCOO]- 517.13648 234.5
[M+CH3COO]- 531.15213 241.0
[M+Na-2H]- 493.11295 215.3
[M]+ 472.13773 211.1
[M]- 472.13883 211.1
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.