CID 3051382

3-(2-dimethylaminoethyl)-5-(4-pyridyl)-1,2,4(h)-triazole

Structural Information

Molecular Formula
C11H15N5
SMILES
CN(C)CCC1=NC(=NN1)C2=CC=NC=C2
InChI
InChI=1S/C11H15N5/c1-16(2)8-5-10-13-11(15-14-10)9-3-6-12-7-4-9/h3-4,6-7H,5,8H2,1-2H3,(H,13,14,15)
InChIKey
NYBAZMHQMWTCMJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 149.1
[M+Na]+ 240.12197 156.8
[M-H]- 216.12547 150.7
[M+NH4]+ 235.16657 163.5
[M+K]+ 256.09591 153.5
[M+H-H2O]+ 200.13001 138.9
[M+HCOO]- 262.13095 169.9
[M+CH3COO]- 276.14660 190.9
[M+Na-2H]- 238.10742 154.8
[M]+ 217.13220 149.0
[M]- 217.13330 149.0
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.