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]+ 263.150246 161.1
[M+Na]+ 285.132188 164.4
[M-H]- 261.135694 164.1
[M+NH4]+ 280.176793 173.8
[M+K]+ 301.106128 161.9
[M+H-H2O]+ 245.140230 151.5
[M+HCOO]- 307.141171 179.8
[M+CH3COO]- 321.156821 198.2
[M+Na-2H]- 283.117636 164.7
[M]+ 262.14242142 155.4
[M]- 262.14351858 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.