CID 206607

Di-2-amidinothioethyl succinate dihydrobromide

Structural Information

Molecular Formula
C10H18N4O4S2
SMILES
C(CC(=O)OCCSC(=N)N)C(=O)OCCSC(=N)N
InChI
InChI=1S/C10H18N4O4S2/c11-9(12)19-5-3-17-7(15)1-2-8(16)18-4-6-20-10(13)14/h1-6H2,(H3,11,12)(H3,13,14)
InChIKey
ZZMVQAQENXJKGZ-UHFFFAOYSA-N
Compound name
bis(2-carbamimidoylsulfanylethyl) butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07693 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08421 171.1
[M+Na]+ 345.06615 171.1
[M+NH4]+ 340.11075 173.7
[M+K]+ 361.04009 167.1
[M-H]- 321.06965 168.0
[M+Na-2H]- 343.05160 168.5
[M]+ 322.07638 170.0
[M]- 322.07748 170.0
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.