CID 3062668

Zsb 11

Structural Information

Molecular Formula
C16H22N4O8
SMILES
CC(=O)OCN1C(=O)CN(CC1=O)CCN2CC(=O)N(C(=O)C2)COC(=O)C
InChI
InChI=1S/C16H22N4O8/c1-11(21)27-9-19-13(23)5-17(6-14(19)24)3-4-18-7-15(25)20(16(26)8-18)10-28-12(2)22/h3-10H2,1-2H3
InChIKey
CFBQCRQDDJBRQF-UHFFFAOYSA-N
Compound name
[4-[2-[4-(acetyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

398.14377 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.15105 186.9
[M+Na]+ 421.13299 192.1
[M-H]- 397.13649 187.4
[M+NH4]+ 416.17759 192.1
[M+K]+ 437.10693 190.8
[M+H-H2O]+ 381.14103 177.1
[M+HCOO]- 443.14197 197.2
[M+CH3COO]- 457.15762 222.3
[M+Na-2H]- 419.11844 183.1
[M]+ 398.14322 188.7
[M]- 398.14432 188.7
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