CID 388375

Nsc683267

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C15H12N2O3S/c18-21(19,20)12-7-5-11(6-8-12)17-15-9-10-16-14-4-2-1-3-13(14)15/h1-10H,(H,16,17)(H,18,19,20)
InChIKey
XIEIYHZJTBZWDX-UHFFFAOYSA-N
Compound name
4-(quinolin-4-ylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.05685 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 164.2
[M+Na]+ 323.04607 173.2
[M-H]- 299.04957 169.6
[M+NH4]+ 318.09067 178.3
[M+K]+ 339.02001 167.4
[M+H-H2O]+ 283.05411 156.5
[M+HCOO]- 345.05505 180.7
[M+CH3COO]- 359.07070 175.5
[M+Na-2H]- 321.03152 172.3
[M]+ 300.05630 165.8
[M]- 300.05740 165.8
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.