CID 3062669

Zsb 21

Structural Information

Molecular Formula
C16H22N4O10
SMILES
COC(=O)OCN1C(=O)CN(CC1=O)CCN2CC(=O)N(C(=O)C2)COC(=O)OC
InChI
InChI=1S/C16H22N4O10/c1-27-15(25)29-9-19-11(21)5-17(6-12(19)22)3-4-18-7-13(23)20(14(24)8-18)10-30-16(26)28-2/h3-10H2,1-2H3
InChIKey
QQJRPIKDHIOKSN-UHFFFAOYSA-N
Compound name
[4-[2-[4-(methoxycarbonyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.1336 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14088 189.7
[M+Na]+ 453.12282 194.3
[M-H]- 429.12632 190.2
[M+NH4]+ 448.16742 193.4
[M+K]+ 469.09676 194.7
[M+H-H2O]+ 413.13086 179.7
[M+HCOO]- 475.13180 200.3
[M+CH3COO]- 489.14745 225.7
[M+Na-2H]- 451.10827 186.7
[M]+ 430.13305 194.1
[M]- 430.13415 194.1
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

patents stripe