CID 439597

Schembl19277411

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N)NC(=O)N2
InChI
InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m1/s1
InChIKey
XFLVBMBRLSCJAI-ZXFLCMHBSA-N
Compound name
5-[(3aR,4R,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

991
Patents

243.10414 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11142 156.2
[M+Na]+ 266.09336 162.0
[M-H]- 242.09686 154.4
[M+NH4]+ 261.13796 174.2
[M+K]+ 282.06730 157.9
[M+H-H2O]+ 226.10140 150.5
[M+HCOO]- 288.10234 167.0
[M+CH3COO]- 302.11799 187.3
[M+Na-2H]- 264.07881 152.6
[M]+ 243.10359 152.5
[M]- 243.10469 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe