CID 11168457

305372-39-8

Structural Information

Molecular Formula
C23H35N5O7S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2
InChI
InChI=1S/C23H35N5O7S/c29-18(4-2-1-3-17-22-16(15-36-17)26-23(33)27-22)24-8-11-34-13-14-35-12-9-25-19(30)7-10-28-20(31)5-6-21(28)32/h5-6,16-17,22H,1-4,7-15H2,(H,24,29)(H,25,30)(H2,26,27,33)/t16-,17-,22-/m0/s1
InChIKey
UDPCXVIKHFVPSZ-HOIFWPIMSA-N
Compound name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

584
Patents

525.2257 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.23298 223.1
[M+Na]+ 548.21492 222.0
[M+NH4]+ 543.25952 222.7
[M+K]+ 564.18886 224.1
[M-H]- 524.21842 219.0
[M+Na-2H]- 546.20037 217.7
[M]+ 525.22515 220.8
[M]- 525.22625 220.8
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