CID 14409732

Trp-pro

Structural Information

Molecular Formula
C16H19N3O3
SMILES
C1CC(N(C1)C(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)O
InChI
InChI=1S/C16H19N3O3/c17-12(15(20)19-7-3-6-14(19)16(21)22)8-10-9-18-13-5-2-1-4-11(10)13/h1-2,4-5,9,12,14,18H,3,6-8,17H2,(H,21,22)
InChIKey
DXYQIGZZWYBXSD-UHFFFAOYSA-N
Compound name
1-[2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1015
Patents

301.14264 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 169.5
[M+Na]+ 324.13186 177.0
[M+NH4]+ 319.17646 174.7
[M+K]+ 340.10580 177.5
[M-H]- 300.13536 169.5
[M+Na-2H]- 322.11731 171.7
[M]+ 301.14209 169.9
[M]- 301.14319 169.9
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