CID 1822705

1-(2-ethoxyethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)piperazine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C14H25N3O3
SMILES
CCOCCN1CCN(CC1)C(=O)CN2CCCC2=O
InChI
InChI=1S/C14H25N3O3/c1-2-20-11-10-15-6-8-16(9-7-15)14(19)12-17-5-3-4-13(17)18/h2-12H2,1H3
InChIKey
ZCHKKSXBFHZTRD-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1896 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.19688 169.9
[M+Na]+ 306.17882 173.1
[M-H]- 282.18232 170.8
[M+NH4]+ 301.22342 182.8
[M+K]+ 322.15276 171.1
[M+H-H2O]+ 266.18686 160.2
[M+HCOO]- 328.18780 183.7
[M+CH3COO]- 342.20345 198.9
[M+Na-2H]- 304.16427 167.6
[M]+ 283.18905 167.0
[M]- 283.19015 167.0
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.