CID 80948

6470-23-1

Structural Information

Molecular Formula
C24H20N4O6S
SMILES
COC1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O6S/c1-34-20-5-3-2-4-19(20)27-28-22-21(35(31,32)33)13-15-12-17(10-11-18(15)23(22)29)26-24(30)14-6-8-16(25)9-7-14/h2-13,29H,25H2,1H3,(H,26,30)(H,31,32,33)
InChIKey
LYSZZWVPQOQEFH-UHFFFAOYSA-N
Compound name
7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.11035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.11763 211.3
[M+Na]+ 515.09957 217.0
[M-H]- 491.10307 221.2
[M+NH4]+ 510.14417 217.5
[M+K]+ 531.07351 213.1
[M+H-H2O]+ 475.10761 200.6
[M+HCOO]- 537.10855 230.1
[M+CH3COO]- 551.12420 247.6
[M+Na-2H]- 513.08502 216.9
[M]+ 492.10980 215.0
[M]- 492.11090 215.0
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.