CID 3627421

1-benzyl-4-(4-methyl-4h-1,2,4-triazol-3-yl)piperidine

Structural Information

Molecular Formula
C15H20N4
SMILES
CN1C=NN=C1C2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N4/c1-18-12-16-17-15(18)14-7-9-19(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChIKey
JCFPQYCNDCXHJK-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 162.0
[M+Na]+ 279.15802 168.3
[M-H]- 255.16152 165.6
[M+NH4]+ 274.20262 174.6
[M+K]+ 295.13196 163.3
[M+H-H2O]+ 239.16606 150.5
[M+HCOO]- 301.16700 178.4
[M+CH3COO]- 315.18265 171.9
[M+Na-2H]- 277.14347 164.3
[M]+ 256.16825 158.0
[M]- 256.16935 158.0
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.