CID 89184318

1253202-38-8

Structural Information

Molecular Formula
C14H20N4O5S2
SMILES
CC1(N=N1)CCC(=O)NCCSSCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H20N4O5S2/c1-14(16-17-14)6-4-10(19)15-7-9-25-24-8-5-13(22)23-18-11(20)2-3-12(18)21/h2-9H2,1H3,(H,15,19)
InChIKey
NLPWBELUEANJAT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[2-[3-(3-methyldiazirin-3-yl)propanoylamino]ethyldisulfanyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

562
Patents

388.08752 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09480 190.1
[M+Na]+ 411.07674 196.8
[M+NH4]+ 406.12134 195.1
[M+K]+ 427.05068 191.4
[M-H]- 387.08024 194.8
[M+Na-2H]- 409.06219 193.7
[M]+ 388.08697 193.9
[M]- 388.08807 193.9
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