CID 515553

2-diethylaminoethyl 4-[(2,5-dioxopyrrol-1-yl)methyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C16H26N4O4
SMILES
CCN(CC)CCOC(=O)N1CCN(CC1)CN2C(=O)C=CC2=O
InChI
InChI=1S/C16H26N4O4/c1-3-17(4-2)11-12-24-16(23)19-9-7-18(8-10-19)13-20-14(21)5-6-15(20)22/h5-6H,3-4,7-13H2,1-2H3
InChIKey
XXDOXHPOBNTJRR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-[(2,5-dioxopyrrol-1-yl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1954 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20268 180.9
[M+Na]+ 361.18462 184.6
[M-H]- 337.18812 183.8
[M+NH4]+ 356.22922 192.1
[M+K]+ 377.15856 183.3
[M+H-H2O]+ 321.19266 170.8
[M+HCOO]- 383.19360 197.5
[M+CH3COO]- 397.20925 214.7
[M+Na-2H]- 359.17007 178.3
[M]+ 338.19485 181.8
[M]- 338.19595 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.