CID 163122

Mk-771

Structural Information

Molecular Formula
C16H22N6O4S
SMILES
C1C[C@H](NC(=O)C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CSC[C@@H]3C(=O)N
InChI
InChI=1S/C16H22N6O4S/c17-14(24)12-6-27-8-22(12)16(26)11(4-9-5-18-7-19-9)21-15(25)10-2-1-3-13(23)20-10/h5,7,10-12H,1-4,6,8H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12+/m0/s1
InChIKey
OGUDACTYCTVDNZ-SDDRHHMPSA-N
Compound name
(4S)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]propanoyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

48
References

4
Patents

394.14233 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14961 185.2
[M+Na]+ 417.13155 187.2
[M+NH4]+ 412.17615 187.0
[M+K]+ 433.10549 189.2
[M-H]- 393.13505 183.8
[M+Na-2H]- 415.11700 185.1
[M]+ 394.14178 184.3
[M]- 394.14288 184.3
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