CID 155819643

2470384-86-0

Structural Information

Molecular Formula
C10H17N3O4S
SMILES
C1[C@H]2[C@@H]([C@@H](S1(=N)=O)CCCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C10H17N3O4S/c11-18(17)5-6-9(13-10(16)12-6)7(18)3-1-2-4-8(14)15/h6-7,9,11H,1-5H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-,18?/m0/s1
InChIKey
GHFHTLYKBUCIEM-UVLIGIHASA-N
Compound name
5-[(3aS,4S,6aR)-5-imino-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09396 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10124 162.0
[M+Na]+ 298.08318 165.8
[M+NH4]+ 293.12778 167.3
[M+K]+ 314.05712 163.4
[M-H]- 274.08668 157.9
[M+Na-2H]- 296.06863 160.4
[M]+ 275.09341 161.0
[M]- 275.09451 161.0
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.