CID 136053770

72797-13-8

Structural Information

Molecular Formula
C16H12N4O10S2
SMILES
C1=CC2=C(C(=C(C=C2C=C1N)S(=O)(=O)O)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)O)O)O
InChI
InChI=1S/C16H12N4O10S2/c17-8-1-2-10-7(3-8)4-12(31(25,26)27)14(15(10)21)19-18-11-5-9(20(23)24)6-13(16(11)22)32(28,29)30/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30)
InChIKey
HXCAOTTUHMNTPB-UHFFFAOYSA-N
Compound name
7-amino-4-hydroxy-3-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

483.99948 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.00676 194.1
[M+Na]+ 506.98870 201.5
[M+NH4]+ 502.03330 195.7
[M+K]+ 522.96264 200.8
[M-H]- 482.99220 195.1
[M+Na-2H]- 504.97415 197.8
[M]+ 483.99893 195.6
[M]- 484.00003 195.6
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

patents stripe