CID 178060

Jtp-4819

Structural Information

Molecular Formula
C19H25N3O4
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)NCC3=CC=CC=C3)C(=O)CO
InChI
InChI=1S/C19H25N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-16,23H,4-5,8-13H2,(H,20,26)/t15-,16-/m0/s1
InChIKey
ICULFJDHZQTNRB-HOTGVXAUSA-N
Compound name
(2S)-N-benzyl-2-[(2S)-2-(2-hydroxyacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

110
Patents

359.1845 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 186.5
[M+Na]+ 382.17372 192.0
[M+NH4]+ 377.21832 190.5
[M+K]+ 398.14766 192.5
[M-H]- 358.17722 187.4
[M+Na-2H]- 380.15917 188.6
[M]+ 359.18395 186.7
[M]- 359.18505 186.7
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