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]+ 292.17681 168.9
[M+Na]+ 314.15875 172.2
[M-H]- 290.16225 173.4
[M+NH4]+ 309.20335 180.4
[M+K]+ 330.13269 172.0
[M+H-H2O]+ 274.16679 158.2
[M+HCOO]- 336.16773 187.0
[M+CH3COO]- 350.18338 210.7
[M+Na-2H]- 312.14420 171.0
[M]+ 291.16898 166.7
[M]- 291.17008 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.