CID 638678

Protirelin

Structural Information

Molecular Formula
C16H22N6O4
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N
InChI
InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
InChIKey
XNSAINXGIQZQOO-SRVKXCTJSA-N
Compound name
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13041
References

42587
Patents

362.17026 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17754 181.1
[M+Na]+ 385.15948 182.5
[M+NH4]+ 380.20408 182.4
[M+K]+ 401.13342 188.8
[M-H]- 361.16298 179.0
[M+Na-2H]- 383.14493 180.5
[M]+ 362.16971 179.4
[M]- 362.17081 179.4
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