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]+ 218.140026 149.1
[M+Na]+ 240.121968 156.8
[M-H]- 216.125474 150.7
[M+NH4]+ 235.166573 163.5
[M+K]+ 256.095908 153.5
[M+H-H2O]+ 200.130010 138.9
[M+HCOO]- 262.130951 169.9
[M+CH3COO]- 276.146601 190.9
[M+Na-2H]- 238.107416 154.8
[M]+ 217.13220142 149.0
[M]- 217.13329858 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.