CID 851861

4-benzylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CN(CCN1CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C12H17N3O/c13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)
InChIKey
DFVMGPBDKDGCQY-UHFFFAOYSA-N
Compound name
4-benzylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

219.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.2
[M+Na]+ 242.12638 155.8
[M-H]- 218.12988 153.7
[M+NH4]+ 237.17098 165.8
[M+K]+ 258.10032 152.6
[M+H-H2O]+ 202.13442 142.2
[M+HCOO]- 264.13536 169.1
[M+CH3COO]- 278.15101 189.1
[M+Na-2H]- 240.11183 154.9
[M]+ 219.13661 145.0
[M]- 219.13771 145.0
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

patents stripe