CID 381836

Nsc668909

Structural Information

Molecular Formula
C14H20N4O4
SMILES
C1CC(NC1)C(=O)N2CCCC2C(=O)N3CC(=O)NCC3=O
InChI
InChI=1S/C14H20N4O4/c19-11-8-18(12(20)7-16-11)14(22)10-4-2-6-17(10)13(21)9-3-1-5-15-9/h9-10,15H,1-8H2,(H,16,19)
InChIKey
CEIVBWRYMQRQJR-UHFFFAOYSA-N
Compound name
1-[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.14847 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15575 174.4
[M+Na]+ 331.13769 176.7
[M-H]- 307.14119 175.2
[M+NH4]+ 326.18229 184.6
[M+K]+ 347.11163 173.3
[M+H-H2O]+ 291.14573 165.0
[M+HCOO]- 353.14667 182.7
[M+CH3COO]- 367.16232 196.5
[M+Na-2H]- 329.12314 167.1
[M]+ 308.14792 163.7
[M]- 308.14902 163.7
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.