CID 3066934

1-(2,4-dimethylallophanoyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CNC(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C14H20N4O2/c1-15-13(19)16(2)14(20)18-10-8-17(9-11-18)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,15,19)
InChIKey
GLQHCAAZRUCUKS-UHFFFAOYSA-N
Compound name
N-methyl-N-(methylcarbamoyl)-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

276.15863 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 165.3
[M+Na]+ 299.14785 168.4
[M-H]- 275.15135 169.7
[M+NH4]+ 294.19245 178.1
[M+K]+ 315.12179 167.1
[M+H-H2O]+ 259.15589 155.5
[M+HCOO]- 321.15683 184.2
[M+CH3COO]- 335.17248 204.5
[M+Na-2H]- 297.13330 167.8
[M]+ 276.15808 161.3
[M]- 276.15918 161.3
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