CID 106009

Einecs 267-619-8

Structural Information

Molecular Formula
C16H14N4O4S
SMILES
C1=CC(=CC=C1N)N=NC2=C(C=C3C=CC(=CC3=C2O)N)S(=O)(=O)O
InChI
InChI=1S/C16H14N4O4S/c17-10-3-5-12(6-4-10)19-20-15-14(25(22,23)24)7-9-1-2-11(18)8-13(9)16(15)21/h1-8,21H,17-18H2,(H,22,23,24)
InChIKey
ZCVNCZPTVCNNOD-UHFFFAOYSA-N
Compound name
6-amino-3-[(4-aminophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.07358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08086 176.9
[M+Na]+ 381.06280 185.3
[M-H]- 357.06630 184.2
[M+NH4]+ 376.10740 189.4
[M+K]+ 397.03674 180.4
[M+H-H2O]+ 341.07084 168.6
[M+HCOO]- 403.07178 197.2
[M+CH3COO]- 417.08743 221.7
[M+Na-2H]- 379.04825 183.2
[M]+ 358.07303 177.9
[M]- 358.07413 177.9
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

patents stripe