CID 1204062

1-(2-nitrophenyl)sulfanyl-3,4-dihydro-2h-quinoline

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
C1CC2=CC=CC=C2N(C1)SC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O2S/c18-17(19)14-9-3-4-10-15(14)20-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2
InChIKey
CNQDHYMRYUBTIB-UHFFFAOYSA-N
Compound name
1-(2-nitrophenyl)sulfanyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0776 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 157.8
[M+Na]+ 309.06682 173.0
[M+NH4]+ 304.11142 167.7
[M+K]+ 325.04076 165.3
[M-H]- 285.07032 164.5
[M+Na-2H]- 307.05227 166.6
[M]+ 286.07705 162.4
[M]- 286.07815 162.4
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.