CID 44145243

71598-20-4

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
CC1=CC=C(C=C1)N=NC2=C3C=CC=C(C3=C(C=C2)NC4=CC=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C23H19N3O3S/c1-16-10-12-18(13-11-16)25-26-20-14-15-21(24-17-6-3-2-4-7-17)23-19(20)8-5-9-22(23)30(27,28)29/h2-15,24H,1H3,(H,27,28,29)
InChIKey
VWGBGFYQCBRNJT-UHFFFAOYSA-N
Compound name
8-anilino-5-[(4-methylphenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.11472 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 196.6
[M+Na]+ 440.10394 211.4
[M+NH4]+ 435.14854 204.4
[M+K]+ 456.07788 200.7
[M-H]- 416.10744 205.1
[M+Na-2H]- 438.08939 208.2
[M]+ 417.11417 201.7
[M]- 417.11527 201.7
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

No patent data available for this compound.