CID 3071024

Quinoline, 2-((5-methyl-4h-1,2,4-triazol-3-yl)thio)-, hydrochloride

Structural Information

Molecular Formula
C12H10N4S
SMILES
CC1=NC(=NN1)SC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C12H10N4S/c1-8-13-12(16-15-8)17-11-7-6-9-4-2-3-5-10(9)14-11/h2-7H,1H3,(H,13,15,16)
InChIKey
KPXHCUIYZJATIF-UHFFFAOYSA-N
Compound name
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06262 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06990 150.8
[M+Na]+ 265.05184 167.0
[M+NH4]+ 260.09644 159.5
[M+K]+ 281.02578 158.9
[M-H]- 241.05534 153.9
[M+Na-2H]- 263.03729 159.7
[M]+ 242.06207 154.6
[M]- 242.06317 154.6
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.