CID 487307

8-[(2-methylphenyl)sulfonyl]-5-quinolylamine

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC1=CC=CC=C1S(=O)(=O)C2=C3C(=C(C=C2)N)C=CC=N3
InChI
InChI=1S/C16H14N2O2S/c1-11-5-2-3-7-14(11)21(19,20)15-9-8-13(17)12-6-4-10-18-16(12)15/h2-10H,17H2,1H3
InChIKey
VEAIWINJOAQRHD-UHFFFAOYSA-N
Compound name
8-(2-methylphenyl)sulfonylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 166.7
[M+Na]+ 321.06682 176.7
[M-H]- 297.07032 173.1
[M+NH4]+ 316.11142 181.7
[M+K]+ 337.04076 170.6
[M+H-H2O]+ 281.07486 158.9
[M+HCOO]- 343.07580 183.4
[M+CH3COO]- 357.09145 178.4
[M+Na-2H]- 319.05227 172.5
[M]+ 298.07705 168.4
[M]- 298.07815 168.4
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.