CID 3075753

L-prolyl-l-tyrosineamide trifluoroacetate

Structural Information

Molecular Formula
C14H19N3O3
SMILES
C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C14H19N3O3/c15-13(19)12(8-9-3-5-10(18)6-4-9)17-14(20)11-2-1-7-16-11/h3-6,11-12,16,18H,1-2,7-8H2,(H2,15,19)(H,17,20)/t11-,12-/m0/s1
InChIKey
FYSOVNFPTBIWBY-RYUDHWBXSA-N
Compound name
(2S)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

277.14264 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 164.2
[M+Na]+ 300.13186 166.3
[M-H]- 276.13536 165.7
[M+NH4]+ 295.17646 177.5
[M+K]+ 316.10580 163.1
[M+H-H2O]+ 260.13990 156.2
[M+HCOO]- 322.14084 181.6
[M+CH3COO]- 336.15649 197.8
[M+Na-2H]- 298.11731 162.7
[M]+ 277.14209 156.8
[M]- 277.14319 156.8
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