CID 14306898

93823-63-3

Structural Information

Molecular Formula
C20H29N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C(C2=CC=CC=C2)O)C
InChI
InChI=1S/C20H29N3O3/c1-19(2)13-15(20(3,4)23-19)17(25)21-11-8-12-22-18(26)16(24)14-9-6-5-7-10-14/h5-7,9-10,13,16,23-24H,8,11-12H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
ABGNBZYWJINTLG-UHFFFAOYSA-N
Compound name
N-[3-[(2-hydroxy-2-phenylacetyl)amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.2209 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.228176 186.8
[M+Na]+ 382.210118 190.5
[M-H]- 358.213624 189.2
[M+NH4]+ 377.254723 201.8
[M+K]+ 398.184058 186.8
[M+H-H2O]+ 342.218160 180.4
[M+HCOO]- 404.219101 204.4
[M+CH3COO]- 418.234751 215.5
[M+Na-2H]- 380.195566 186.6
[M]+ 359.22035142 185.3
[M]- 359.22144858 185.3
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

No patent data available for this compound.