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

0
Patents

406.02194 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.02922 180.8
[M+Na]+ 429.01116 186.2
[M-H]- 405.01466 185.8
[M+NH4]+ 424.05576 188.4
[M+K]+ 444.98510 178.1
[M+H-H2O]+ 389.01920 176.6
[M+HCOO]- 451.02014 196.4
[M+CH3COO]- 465.03579 215.2
[M+Na-2H]- 426.99661 189.9
[M]+ 406.02139 180.1
[M]- 406.02249 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.