CID 16410

Acid alizarin violet n

Structural Information

Molecular Formula
C16H12N2O5S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)O
InChI
InChI=1S/C16H12N2O5S/c19-14-8-6-11(24(21,22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)20/h1-9,19-20H,(H,21,22,23)
InChIKey
IGLJWNJJOFKOTF-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1713
Patents

344.0467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05398 173.1
[M+Na]+ 367.03592 181.9
[M-H]- 343.03942 180.1
[M+NH4]+ 362.08052 186.5
[M+K]+ 383.00986 177.2
[M+H-H2O]+ 327.04396 165.4
[M+HCOO]- 389.04490 191.7
[M+CH3COO]- 403.06055 210.4
[M+Na-2H]- 365.02137 180.5
[M]+ 344.04615 176.7
[M]- 344.04725 176.7
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