CID 89184318

Sdad

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 185.2
[M+Na]+ 411.07674 191.9
[M-H]- 387.08024 187.3
[M+NH4]+ 406.12134 191.9
[M+K]+ 427.05068 186.5
[M+H-H2O]+ 371.08478 178.7
[M+HCOO]- 433.08572 193.8
[M+CH3COO]- 447.10137 216.9
[M+Na-2H]- 409.06219 183.1
[M]+ 388.08697 194.7
[M]- 388.08807 194.7
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