CID 136076001

71889-13-9

Structural Information

Molecular Formula
C24H20N6O15S4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)N)O
InChI
InChI=1S/C24H20N6O15S4/c25-21-20-13(11-19(48(39,40)41)23(24(20)31)29-27-15-2-1-3-16(12-15)30(32)33)10-18(47(36,37)38)22(21)28-26-14-4-6-17(7-5-14)46(34,35)9-8-45-49(42,43)44/h1-7,10-12,31H,8-9,25H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)
InChIKey
ONIOHQXMGACCBM-UHFFFAOYSA-N
Compound name
5-amino-4-hydroxy-3-[(3-nitrophenyl)diazenyl]-6-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.98694 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.99422 233.0
[M+Na]+ 782.97616 240.0
[M+NH4]+ 778.02076 237.7
[M+K]+ 798.95010 237.5
[M-H]- 758.97966 231.7
[M+Na-2H]- 780.96161 260.9
[M]+ 759.98639 235.9
[M]- 759.98749 235.9
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.