CID 23134

C.i. acid red 214

Structural Information

Molecular Formula
C15H10N4O8S
SMILES
C1=CC=C2C(=C1)C(=O)C(C(=O)N2)N=NC3=C(C(=CC(=C3)S(=O)(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C15H10N4O8S/c20-13-8-3-1-2-4-9(8)16-15(22)12(13)18-17-10-5-7(28(25,26)27)6-11(14(10)21)19(23)24/h1-6,12,21H,(H,16,22)(H,25,26,27)
InChIKey
CYNVODVHSJKPME-UHFFFAOYSA-N
Compound name
3-[(2,4-dioxo-1H-quinolin-3-yl)diazenyl]-4-hydroxy-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

406.02194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.029216 180.8
[M+Na]+ 429.011158 186.2
[M-H]- 405.014664 185.8
[M+NH4]+ 424.055763 188.4
[M+K]+ 444.985098 178.1
[M+H-H2O]+ 389.019200 176.6
[M+HCOO]- 451.020141 196.4
[M+CH3COO]- 465.035791 215.2
[M+Na-2H]- 426.996606 189.9
[M]+ 406.02139142 180.1
[M]- 406.02248858 180.1
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.