CID 3066982

1-butyl-4-(2,4,4-trimethylallophanoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H26N4O2
SMILES
CCCCN1CCN(CC1)C(=O)N(C)C(=O)N(C)C
InChI
InChI=1S/C13H26N4O2/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3/h5-11H2,1-4H3
InChIKey
ONHNSQZTFHEAFG-UHFFFAOYSA-N
Compound name
4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.20557 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21285 167.7
[M+Na]+ 293.19479 170.3
[M-H]- 269.19829 170.1
[M+NH4]+ 288.23939 182.0
[M+K]+ 309.16873 171.4
[M+H-H2O]+ 253.20283 158.8
[M+HCOO]- 315.20377 186.0
[M+CH3COO]- 329.21942 209.2
[M+Na-2H]- 291.18024 167.2
[M]+ 270.20502 167.2
[M]- 270.20612 167.2
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.