CID 44152764

74398-78-0

Structural Information

Molecular Formula
C24H18N4O14S4
SMILES
C1=CC(=C(C=C1N=NC2=C(C=CC3=C2C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C24H18N4O14S4/c25-20-8-7-18-19(11-17(43(31,32)33)12-23(18)46(40,41)42)24(20)27-26-15-5-3-13(21(9-15)44(34,35)36)1-2-14-4-6-16(28(29)30)10-22(14)45(37,38)39/h1-12H,25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)/b2-1+,27-26?
InChIKey
LHOVUQICGSVOKA-YTDIBEEVSA-N
Compound name
6-amino-5-[[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

713.9702 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.97748 225.1
[M+Na]+ 736.95942 231.8
[M+NH4]+ 732.00402 229.2
[M+K]+ 752.93336 230.4
[M-H]- 712.96292 223.1
[M+Na-2H]- 734.94487 252.4
[M]+ 713.96965 227.3
[M]- 713.97075 227.3
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

No patent data available for this compound.