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 196.4
[M+Na]+ 440.10394 204.0
[M-H]- 416.10744 208.2
[M+NH4]+ 435.14854 207.4
[M+K]+ 456.07788 197.9
[M+H-H2O]+ 400.11198 186.1
[M+HCOO]- 462.11292 217.5
[M+CH3COO]- 476.12857 232.4
[M+Na-2H]- 438.08939 203.9
[M]+ 417.11417 199.6
[M]- 417.11527 199.6
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.