CID 14499112

93799-13-4

Structural Information

Molecular Formula

C₂₀H₂₆N₄O₂

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCNC(=O)C3=CC(NC3(C)C)(C)C

InChI

InChI=1S/C20H26N4O2/c1-13-22-16-9-7-6-8-14(16)18(26)24(13)11-10-21-17(25)15-12-19(2,3)23-20(15,4)5/h6-9,12,23H,10-11H2,1-5H3,(H,21,25)

InChIKey

KSMQQSNILPULTL-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 354.20557 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.212846	184.5
[M+Na]+	377.194788	194.2
[M-H]-	353.198294	187.8
[M+NH4]+	372.239393	199.9
[M+K]+	393.168728	188.5
[M+H-H2O]+	337.202830	176.1
[M+HCOO]-	399.203771	201.4
[M+CH3COO]-	413.219421	216.3
[M+Na-2H]-	375.180236	186.9
[M]+	354.20502142	186.4
[M]-	354.20611858	186.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.