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 160.4
[M+Na]+ 309.06682 166.0
[M-H]- 285.07032 166.0
[M+NH4]+ 304.11142 174.9
[M+K]+ 325.04076 156.9
[M+H-H2O]+ 269.07486 156.5
[M+HCOO]- 331.07580 176.1
[M+CH3COO]- 345.09145 193.7
[M+Na-2H]- 307.05227 166.6
[M]+ 286.07705 157.6
[M]- 286.07815 157.6
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.