CID 124297506

2044714-25-0

Structural Information

Molecular Formula
C16H21N5O2
SMILES
C1CNCCC1C2=NNC(=N2)CNC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H21N5O2/c22-16(23-11-12-4-2-1-3-5-12)18-10-14-19-15(21-20-14)13-6-8-17-9-7-13/h1-5,13,17H,6-11H2,(H,18,22)(H,19,20,21)
InChIKey
CTGNPJXLAVMQKB-UHFFFAOYSA-N
Compound name
benzyl N-[(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16953 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17681 175.1
[M+Na]+ 338.15875 184.6
[M+NH4]+ 333.20335 179.9
[M+K]+ 354.13269 181.2
[M-H]- 314.16225 176.9
[M+Na-2H]- 336.14420 181.0
[M]+ 315.16898 176.4
[M]- 315.17008 176.4
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.