CID 117436

16870-86-3

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C(C=C1)CCN2C3=C(C=NC=C3)N=N2
InChI
InChI=1S/C13H12N4/c1-2-4-11(5-3-1)7-9-17-13-6-8-14-10-12(13)15-16-17/h1-6,8,10H,7,9H2
InChIKey
LKNADSOUEMRUST-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)triazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

224.1062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 149.0
[M+Na]+ 247.095418 159.5
[M-H]- 223.098924 151.6
[M+NH4]+ 242.140023 164.4
[M+K]+ 263.069358 154.1
[M+H-H2O]+ 207.103460 138.7
[M+HCOO]- 269.104401 170.2
[M+CH3COO]- 283.120051 161.3
[M+Na-2H]- 245.080866 157.9
[M]+ 224.10565142 151.0
[M]- 224.10674858 151.0
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.