CID 83900

109276-34-8

Structural Information

Molecular Formula
C16H29N5O3S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NN)NC(=O)N2
InChI
InChI=1S/C16H29N5O3S/c17-21-14(23)8-2-1-5-9-18-13(22)7-4-3-6-12-15-11(10-25-12)19-16(24)20-15/h11-12,15H,1-10,17H2,(H,18,22)(H,21,23)(H2,19,20,24)/t11-,12-,15-/m0/s1
InChIKey
IJJWOSAXNHWBPR-HUBLWGQQSA-N
Compound name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-hydrazinyl-6-oxohexyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18569
Patents

371.1991 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20638 187.0
[M+Na]+ 394.18832 186.9
[M+NH4]+ 389.23292 189.8
[M+K]+ 410.16226 186.2
[M-H]- 370.19182 184.1
[M+Na-2H]- 392.17377 183.0
[M]+ 371.19855 185.4
[M]- 371.19965 185.4
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