CID 208692

Brn 0588242

Structural Information

Molecular Formula
C21H34N4O4
SMILES
CCC1(CC(=O)N(C1=O)CN2CCN(C(C2)C)CN3C(=O)CC(C3=O)(C)CC)C
InChI
InChI=1S/C21H34N4O4/c1-6-20(4)10-16(26)24(18(20)28)13-22-8-9-23(15(3)12-22)14-25-17(27)11-21(5,7-2)19(25)29/h15H,6-14H2,1-5H3
InChIKey
QAKWHQCYOPJDHY-UHFFFAOYSA-N
Compound name
3-ethyl-1-[[4-[(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.258 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26528 194.0
[M+Na]+ 429.24722 201.1
[M-H]- 405.25072 198.4
[M+NH4]+ 424.29182 207.3
[M+K]+ 445.22116 197.2
[M+H-H2O]+ 389.25526 186.5
[M+HCOO]- 451.25620 205.1
[M+CH3COO]- 465.27185 226.3
[M+Na-2H]- 427.23267 186.7
[M]+ 406.25745 193.6
[M]- 406.25855 193.6
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.