CID 135482788

2,7-naphthalenedisulfonic acid, 4-amino-3-[(4-aminophenyl)azo]-5-hydroxy-6-(phenylazo)-

Structural Information

Molecular Formula
C22H18N6O7S2
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)N)N)O
InChI
InChI=1S/C22H18N6O7S2/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35)
InChIKey
GBUZSOVDCZSPKS-UHFFFAOYSA-N
Compound name
4-amino-3-[(4-aminophenyl)diazenyl]-5-hydroxy-6-phenyldiazenylnaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

74
Patents

542.0678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.07508 217.3
[M+Na]+ 565.05702 222.7
[M-H]- 541.06052 226.5
[M+NH4]+ 560.10162 221.1
[M+K]+ 581.03096 218.0
[M+H-H2O]+ 525.06506 206.6
[M+HCOO]- 587.06600 233.3
[M+CH3COO]- 601.08165 259.9
[M+Na-2H]- 563.04247 227.9
[M]+ 542.06725 220.4
[M]- 542.06835 220.4
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

No patent data available for this compound.