CID 119081

Icrf-193

Structural Information

Molecular Formula
C12H18N4O4
SMILES
C[C@H]([C@H](C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2
InChI
InChI=1S/C12H18N4O4/c1-7(15-3-9(17)13-10(18)4-15)8(2)16-5-11(19)14-12(20)6-16/h7-8H,3-6H2,1-2H3,(H,13,17,18)(H,14,19,20)/t7-,8+
InChIKey
OBYGAPWKTPDTAS-OCAPTIKFSA-N
Compound name
4-[(2S,3R)-3-(3,5-dioxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

165
References

971
Patents

282.1328 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 166.6
[M+Na]+ 305.12202 174.2
[M+NH4]+ 300.16662 169.3
[M+K]+ 321.09596 172.2
[M-H]- 281.12552 163.9
[M+Na-2H]- 303.10747 166.4
[M]+ 282.13225 166.1
[M]- 282.13335 166.1
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

patents stripe