CID 71587643

Pyroglutamylamidoethyl indole

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CC(=O)N[C@@H]1C(=O)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H17N3O2/c19-14-6-5-13(18-14)15(20)16-8-7-10-9-17-12-4-2-1-3-11(10)12/h1-4,9,13,17H,5-8H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKey
LFXLWPKXAQBEEB-ZDUSSCGKSA-N
Compound name
(2S)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

271.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 161.5
[M+Na]+ 294.12130 167.9
[M-H]- 270.12480 164.1
[M+NH4]+ 289.16590 177.8
[M+K]+ 310.09524 162.4
[M+H-H2O]+ 254.12934 153.7
[M+HCOO]- 316.13028 180.7
[M+CH3COO]- 330.14593 171.9
[M+Na-2H]- 292.10675 162.9
[M]+ 271.13153 158.2
[M]- 271.13263 158.2
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

No patent data available for this compound.