CID 85611882

Hydroxyprolyl-tryptophan

Structural Information

Molecular Formula
C16H19N3O4
SMILES
C1C(CNC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O
InChI
InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23)
InChIKey
PMCORMXOLUUGHL-UHFFFAOYSA-N
Compound name
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.13754 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 171.4
[M+Na]+ 340.12676 175.3
[M-H]- 316.13026 171.6
[M+NH4]+ 335.17136 184.0
[M+K]+ 356.10070 170.8
[M+H-H2O]+ 300.13480 164.3
[M+HCOO]- 362.13574 185.6
[M+CH3COO]- 376.15139 198.6
[M+Na-2H]- 338.11221 169.8
[M]+ 317.13699 166.5
[M]- 317.13809 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe