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

60
Patents

219.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.144436 151.2
[M+Na]+ 242.126378 155.8
[M-H]- 218.129884 153.7
[M+NH4]+ 237.170983 165.8
[M+K]+ 258.100318 152.6
[M+H-H2O]+ 202.134420 142.2
[M+HCOO]- 264.135361 169.1
[M+CH3COO]- 278.151011 189.1
[M+Na-2H]- 240.111826 154.9
[M]+ 219.13661142 145.0
[M]- 219.13770858 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