CID 3066943

80712-20-5

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22N4O2/c1-16(2)14(20)17(3)15(21)19-11-9-18(10-12-19)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey
QYQUDEKBSAGBSC-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.1743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 169.2
[M+Na]+ 313.16352 172.0
[M-H]- 289.16702 174.9
[M+NH4]+ 308.20812 182.1
[M+K]+ 329.13746 171.9
[M+H-H2O]+ 273.17156 159.1
[M+HCOO]- 335.17250 188.3
[M+CH3COO]- 349.18815 210.9
[M+Na-2H]- 311.14897 170.5
[M]+ 290.17375 166.9
[M]- 290.17485 166.9
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