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 156.4
[M+Na]+ 290.07222 165.7
[M-H]- 266.07572 160.2
[M+NH4]+ 285.11682 170.9
[M+K]+ 306.04616 157.7
[M+H-H2O]+ 250.08026 148.2
[M+HCOO]- 312.08120 172.5
[M+CH3COO]- 326.09685 167.5
[M+Na-2H]- 288.05767 163.4
[M]+ 267.08245 155.6
[M]- 267.08355 155.6
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

patents stripe