CID 20118665

3-(quinolin-2-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C11H9N5
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=NC(=NN3)N
InChI
InChI=1S/C11H9N5/c12-11-14-10(15-16-11)9-6-5-7-3-1-2-4-8(7)13-9/h1-6H,(H3,12,14,15,16)
InChIKey
GURVWVXUVNIUPA-UHFFFAOYSA-N
Compound name
5-quinolin-2-yl-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.093076 144.1
[M+Na]+ 234.075018 155.3
[M-H]- 210.078524 145.9
[M+NH4]+ 229.119623 159.2
[M+K]+ 250.048958 149.0
[M+H-H2O]+ 194.083060 134.8
[M+HCOO]- 256.084001 165.2
[M+CH3COO]- 270.099651 156.4
[M+Na-2H]- 232.060466 152.9
[M]+ 211.08525142 142.7
[M]- 211.08634858 142.7
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.