CID 98587

747-04-6

Structural Information

Molecular Formula
C16H26N6O4
SMILES
CC1(C(=O)N(C(=O)N1)CN2CCN(CC2)CN3C(=O)C(NC3=O)(C)C)C
InChI
InChI=1S/C16H26N6O4/c1-15(2)11(23)21(13(25)17-15)9-19-5-7-20(8-6-19)10-22-12(24)16(3,4)18-14(22)26/h5-10H2,1-4H3,(H,17,25)(H,18,26)
InChIKey
QVSDOAFDCXLLFP-UHFFFAOYSA-N
Compound name
3-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.20154 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20882 186.9
[M+Na]+ 389.19076 194.5
[M-H]- 365.19426 186.8
[M+NH4]+ 384.23536 197.4
[M+K]+ 405.16470 189.9
[M+H-H2O]+ 349.19880 178.7
[M+HCOO]- 411.19974 194.1
[M+CH3COO]- 425.21539 212.2
[M+Na-2H]- 387.17621 180.9
[M]+ 366.20099 182.1
[M]- 366.20209 182.1
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.