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]+ 273.123376 162.3
[M+Na]+ 295.105318 169.2
[M-H]- 271.108824 165.2
[M+NH4]+ 290.149923 178.8
[M+K]+ 311.079258 164.9
[M+H-H2O]+ 255.113360 155.1
[M+HCOO]- 317.114301 179.7
[M+CH3COO]- 331.129951 191.5
[M+Na-2H]- 293.090766 161.9
[M]+ 272.11555142 160.5
[M]- 272.11664858 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