CID 208774

33001-98-8

Structural Information

Molecular Formula
C22H36N4O4
SMILES
CCC1(CC(=O)N(C1=O)CN2CC(N(CC2C)CN3C(=O)CC(C3=O)(C)CC)C)C
InChI
InChI=1S/C22H36N4O4/c1-7-21(5)9-17(27)25(19(21)29)13-23-11-16(4)24(12-15(23)3)14-26-18(28)10-22(6,8-2)20(26)30/h15-16H,7-14H2,1-6H3
InChIKey
DCRVJDDDCGIYPJ-UHFFFAOYSA-N
Compound name
3-ethyl-1-[[4-[(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-3-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.27365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.28093 196.9
[M+Na]+ 443.26287 204.5
[M-H]- 419.26637 201.5
[M+NH4]+ 438.30747 210.0
[M+K]+ 459.23681 200.4
[M+H-H2O]+ 403.27091 189.9
[M+HCOO]- 465.27185 207.7
[M+CH3COO]- 479.28750 230.5
[M+Na-2H]- 441.24832 188.8
[M]+ 420.27310 197.4
[M]- 420.27420 197.4
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.