CID 3066989

1-methyl-4-(4-phenylallophanoyl)piperazine

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CN1CCN(CC1)C(=O)NC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H18N4O2/c1-16-7-9-17(10-8-16)13(19)15-12(18)14-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,14,15,18,19)
InChIKey
IUBBUSMVMQWOKF-UHFFFAOYSA-N
Compound name
4-methyl-N-(phenylcarbamoyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.14297 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 161.1
[M+Na]+ 285.13219 164.4
[M-H]- 261.13569 164.1
[M+NH4]+ 280.17679 173.8
[M+K]+ 301.10613 161.9
[M+H-H2O]+ 245.14023 151.5
[M+HCOO]- 307.14117 179.8
[M+CH3COO]- 321.15682 198.2
[M+Na-2H]- 283.11764 164.7
[M]+ 262.14242 155.4
[M]- 262.14352 155.4
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.