CID 165806282

N-[(3-hydroxypyrrolidin-3-yl)methyl]-n,4-dimethyl-5-oxopiperazine-2-carboxamide dihydrochloride

Structural Information

Molecular Formula
C12H22N4O3
SMILES
CN1CC(NCC1=O)C(=O)N(C)CC2(CCNC2)O
InChI
InChI=1S/C12H22N4O3/c1-15-6-9(14-5-10(15)17)11(18)16(2)8-12(19)3-4-13-7-12/h9,13-14,19H,3-8H2,1-2H3
InChIKey
ZRXXSZOAWFFQOA-UHFFFAOYSA-N
Compound name
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,4-dimethyl-5-oxopiperazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1692 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.17648 164.2
[M+Na]+ 293.15842 167.4
[M-H]- 269.16192 163.3
[M+NH4]+ 288.20302 178.0
[M+K]+ 309.13236 165.1
[M+H-H2O]+ 253.16646 156.4
[M+HCOO]- 315.16740 175.9
[M+CH3COO]- 329.18305 193.8
[M+Na-2H]- 291.14387 163.1
[M]+ 270.16865 156.2
[M]- 270.16975 156.2
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.