CID 4427709

Trp-phe

Structural Information

Molecular Formula
C20H21N3O3
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)
InChIKey
IMMPMHKLUUZKAZ-UHFFFAOYSA-N
Compound name
2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

120
Patents

351.1583 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 182.0
[M+Na]+ 374.14752 185.3
[M-H]- 350.15102 185.0
[M+NH4]+ 369.19212 193.2
[M+K]+ 390.12146 180.5
[M+H-H2O]+ 334.15556 173.5
[M+HCOO]- 396.15650 200.4
[M+CH3COO]- 410.17215 213.5
[M+Na-2H]- 372.13297 182.6
[M]+ 351.15775 179.4
[M]- 351.15885 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