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]+ 257.176076 162.0
[M+Na]+ 279.158018 168.3
[M-H]- 255.161524 165.6
[M+NH4]+ 274.202623 174.6
[M+K]+ 295.131958 163.3
[M+H-H2O]+ 239.166060 150.5
[M+HCOO]- 301.167001 178.4
[M+CH3COO]- 315.182651 171.9
[M+Na-2H]- 277.143466 164.3
[M]+ 256.16825142 158.0
[M]- 256.16934858 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.