CID 3034611

3-quinoxalinethiol, 2-benzylamino-

Structural Information

Molecular Formula
C15H13N3S
SMILES
C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3NC2=S
InChI
InChI=1S/C15H13N3S/c19-15-14(16-10-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
AWDIORUIMLLPTA-UHFFFAOYSA-N
Compound name
3-(benzylamino)-1H-quinoxaline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.083 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 157.2
[M+Na]+ 290.07222 173.0
[M+NH4]+ 285.11682 166.5
[M+K]+ 306.04616 161.9
[M-H]- 266.07572 162.6
[M+Na-2H]- 288.05767 167.2
[M]+ 267.08245 161.6
[M]- 267.08355 161.6
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.