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]+ 287.084876 160.4
[M+Na]+ 309.066818 166.0
[M-H]- 285.070324 166.0
[M+NH4]+ 304.111423 174.9
[M+K]+ 325.040758 156.9
[M+H-H2O]+ 269.074860 156.5
[M+HCOO]- 331.075801 176.1
[M+CH3COO]- 345.091451 193.7
[M+Na-2H]- 307.052266 166.6
[M]+ 286.07705142 157.6
[M]- 286.07814858 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.