CID 135850911

Dtxsid701341333

Structural Information

Molecular Formula
C25H18N4O7
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C25H18N4O7/c1-36-17-9-6-15(7-10-17)26-24(31)20-12-14-4-2-3-5-18(14)22(23(20)30)28-27-21-13-16(29(34)35)8-11-19(21)25(32)33/h2-13,30H,1H3,(H,26,31)(H,32,33)
InChIKey
SYQRVOATYDISHE-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-nitrobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.11755 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.12483 211.3
[M+Na]+ 509.10677 224.1
[M+NH4]+ 504.15137 215.5
[M+K]+ 525.08071 220.8
[M-H]- 485.11027 218.8
[M+Na-2H]- 507.09222 218.7
[M]+ 486.11700 214.8
[M]- 486.11810 214.8
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.