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

78
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

literature stripe

Patent stripe

patents stripe