CID 3056883

73855-42-2

Structural Information

Molecular Formula
C16H14ClN3S
SMILES
CNC1=NC2=CC=CC=C2N=C1SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H14ClN3S/c1-18-15-16(20-14-5-3-2-4-13(14)19-15)21-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H,18,19)
InChIKey
JECFBQKNSNUXNH-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methylsulfanyl]-N-methylquinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0597 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06698 169.6
[M+Na]+ 338.04892 186.9
[M+NH4]+ 333.09352 179.6
[M+K]+ 354.02286 174.6
[M-H]- 314.05242 175.8
[M+Na-2H]- 336.03437 179.7
[M]+ 315.05915 174.9
[M]- 315.06025 174.9
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.