CID 135571034

38455-53-7

Structural Information

Molecular Formula
C19H16N4O6S
SMILES
CC1=C(C=CC(=C1)O)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C19H16N4O6S/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26/h2-11,20,24H,1H3,(H,27,28,29)
InChIKey
LMWVIMOPAMZMLR-UHFFFAOYSA-N
Compound name
4-[4-[(4-hydroxy-2-methylphenyl)diazenyl]anilino]-3-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

441
Patents

428.07904 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08632 192.3
[M+Na]+ 451.06826 204.3
[M+NH4]+ 446.11286 197.1
[M+K]+ 467.04220 200.0
[M-H]- 427.07176 199.0
[M+Na-2H]- 449.05371 201.2
[M]+ 428.07849 196.0
[M]- 428.07959 196.0
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