CID 24262944

Indole-3-acetyl-proline

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CC(N(C1)C(=O)CC2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C15H16N2O3/c18-14(17-7-3-6-13(17)15(19)20)8-10-9-16-12-5-2-1-4-11(10)12/h1-2,4-5,9,13,16H,3,6-8H2,(H,19,20)
InChIKey
STGVBTJKCSSKNP-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.1161 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 162.3
[M+Na]+ 295.10532 169.2
[M-H]- 271.10882 165.2
[M+NH4]+ 290.14992 178.8
[M+K]+ 311.07926 164.9
[M+H-H2O]+ 255.11336 155.1
[M+HCOO]- 317.11430 179.7
[M+CH3COO]- 331.12995 191.5
[M+Na-2H]- 293.09077 161.9
[M]+ 272.11555 160.5
[M]- 272.11665 160.5
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