CID 3066938

80712-16-9

Structural Information

Molecular Formula
C15H22N4O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C(=O)N(C)C(=O)NC
InChI
InChI=1S/C15H22N4O2/c1-12-4-6-13(7-5-12)18-8-10-19(11-9-18)15(21)17(3)14(20)16-2/h4-7H,8-11H2,1-3H3,(H,16,20)
InChIKey
OWJRLOMWHRDTHO-UHFFFAOYSA-N
Compound name
N-methyl-N-(methylcarbamoyl)-4-(4-methylphenyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18158 170.0
[M+Na]+ 313.16352 173.6
[M-H]- 289.16702 174.6
[M+NH4]+ 308.20812 182.6
[M+K]+ 329.13746 172.1
[M+H-H2O]+ 273.17156 160.3
[M+HCOO]- 335.17250 188.6
[M+CH3COO]- 349.18815 208.7
[M+Na-2H]- 311.14897 171.2
[M]+ 290.17375 166.8
[M]- 290.17485 166.8
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.