CID 3066941

80712-19-2

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CNC(=O)N(C)C(=O)N1CCN(CC1)CC2=CC=CC=C2
InChI
InChI=1S/C15H22N4O2/c1-16-14(20)17(2)15(21)19-10-8-18(9-11-19)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,16,20)
InChIKey
OCFSEWMLCLYKHJ-UHFFFAOYSA-N
Compound name
4-benzyl-N-methyl-N-(methylcarbamoyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.181576 169.8
[M+Na]+ 313.163518 172.4
[M-H]- 289.167024 173.9
[M+NH4]+ 308.208123 182.0
[M+K]+ 329.137458 170.8
[M+H-H2O]+ 273.171560 159.7
[M+HCOO]- 335.172501 188.3
[M+CH3COO]- 349.188151 207.5
[M+Na-2H]- 311.148966 171.7
[M]+ 290.17375142 166.1
[M]- 290.17484858 166.1
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.