CID 20113333

4-methyl-2-phenylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C12H17N3O
SMILES
CN1CCN(C(C1)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C12H17N3O/c1-14-7-8-15(12(13)16)11(9-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H2,13,16)
InChIKey
UNTZSKLWGMBYIP-UHFFFAOYSA-N
Compound name
4-methyl-2-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 151.6
[M+Na]+ 242.12638 157.1
[M-H]- 218.12988 154.5
[M+NH4]+ 237.17098 166.5
[M+K]+ 258.10032 153.9
[M+H-H2O]+ 202.13442 142.8
[M+HCOO]- 264.13536 169.5
[M+CH3COO]- 278.15101 190.3
[M+Na-2H]- 240.11183 154.5
[M]+ 219.13661 145.8
[M]- 219.13771 145.8
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