CID 3066969

1-(2-pyridyl)-4-(2,4,4-trimethylallophanoyl)piperazine

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C14H21N5O2/c1-16(2)13(20)17(3)14(21)19-10-8-18(9-11-19)12-6-4-5-7-15-12/h4-7H,8-11H2,1-3H3
InChIKey
SWEAALOBNPJHAX-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-pyridin-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16953 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.176806 168.9
[M+Na]+ 314.158748 172.2
[M-H]- 290.162254 173.4
[M+NH4]+ 309.203353 180.4
[M+K]+ 330.132688 172.0
[M+H-H2O]+ 274.166790 158.2
[M+HCOO]- 336.167731 187.0
[M+CH3COO]- 350.183381 210.7
[M+Na-2H]- 312.144196 171.0
[M]+ 291.16898142 166.7
[M]- 291.17007858 166.7
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.