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]+ 299.084876 166.7
[M+Na]+ 321.066818 176.7
[M-H]- 297.070324 173.1
[M+NH4]+ 316.111423 181.7
[M+K]+ 337.040758 170.6
[M+H-H2O]+ 281.074860 158.9
[M+HCOO]- 343.075801 183.4
[M+CH3COO]- 357.091451 178.4
[M+Na-2H]- 319.052266 172.5
[M]+ 298.07705142 168.4
[M]- 298.07814858 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

literature stripe

Patent stripe

No patent data available for this compound.