CID 135571063

61631-90-1

Structural Information

Molecular Formula
C16H12N4O7S
SMILES
C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)O)N=NC3=C(C=CC(=C3)[N+](=O)[O-])O)O)N
InChI
InChI=1S/C16H12N4O7S/c17-9-2-1-8-5-14(28(25,26)27)15(16(22)11(8)6-9)19-18-12-7-10(20(23)24)3-4-13(12)21/h1-7,21-22H,17H2,(H,25,26,27)
InChIKey
QVWPGFYTJMFGAZ-UHFFFAOYSA-N
Compound name
6-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

404.04266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04994 181.0
[M+Na]+ 427.03188 186.8
[M-H]- 403.03538 187.1
[M+NH4]+ 422.07648 189.8
[M+K]+ 443.00582 178.7
[M+H-H2O]+ 387.03992 176.6
[M+HCOO]- 449.04086 200.0
[M+CH3COO]- 463.05651 218.7
[M+Na-2H]- 425.01733 190.2
[M]+ 404.04211 181.2
[M]- 404.04321 181.2
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