CID 3066988

1-piperazinecarboxamide, 4-(2-chloroethyl)-n-((dimethylamino)carbonyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H21ClN4O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)CCCl
InChI
InChI=1S/C11H21ClN4O2/c1-13(2)10(17)14(3)11(18)16-8-6-15(5-4-12)7-9-16/h4-9H2,1-3H3
InChIKey
RMWKXAGAPXLZFL-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1353 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14258 164.2
[M+Na]+ 299.12452 168.3
[M-H]- 275.12802 166.9
[M+NH4]+ 294.16912 179.2
[M+K]+ 315.09846 168.0
[M+H-H2O]+ 259.13256 156.4
[M+HCOO]- 321.13350 178.7
[M+CH3COO]- 335.14915 206.9
[M+Na-2H]- 297.10997 164.4
[M]+ 276.13475 165.0
[M]- 276.13585 165.0
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.