CID 132489

2-norvaline-trh

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]2CCC(=O)N2
InChI
InChI=1S/C15H24N4O4/c1-2-4-10(18-14(22)9-6-7-12(20)17-9)15(23)19-8-3-5-11(19)13(16)21/h9-11H,2-8H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11-/m0/s1
InChIKey
YWZAPMXAANPWLC-DCAQKATOSA-N
Compound name
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

324.17975 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 178.0
[M+Na]+ 347.16897 178.8
[M-H]- 323.17247 179.4
[M+NH4]+ 342.21357 190.4
[M+K]+ 363.14291 177.2
[M+H-H2O]+ 307.17701 169.8
[M+HCOO]- 369.17795 192.6
[M+CH3COO]- 383.19360 209.1
[M+Na-2H]- 345.15442 170.9
[M]+ 324.17920 171.0
[M]- 324.18030 171.0
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