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

166
References

787
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 167.6
[M+Na]+ 305.12202 172.2
[M-H]- 281.12552 165.3
[M+NH4]+ 300.16662 176.0
[M+K]+ 321.09596 168.4
[M+H-H2O]+ 265.13006 158.6
[M+HCOO]- 327.13100 175.1
[M+CH3COO]- 341.14665 196.8
[M+Na-2H]- 303.10747 164.8
[M]+ 282.13225 159.2
[M]- 282.13335 159.2
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.