CID 3068398

Brn 4606862

Structural Information

Molecular Formula

C₂₆H₃₃N₃O₅

SMILES

CCN(CC)C(=O)C(C(C)C)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H33N3O5/c1-8-28(9-2)26(31)22(16(3)4)29-24(27-19-13-11-10-12-18(19)25(29)30)17-14-20(32-5)23(34-7)21(15-17)33-6/h10-16,22H,8-9H2,1-7H3

InChIKey

KXMUFTDWRATJDQ-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-methyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 467.24203 Da
Monoisotopic Mass: 4.1
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]+	468.249306	215.3
[M+Na]+	490.231248	221.1
[M-H]-	466.234754	221.4
[M+NH4]+	485.275853	222.1
[M+K]+	506.205188	219.2
[M+H-H2O]+	450.239290	203.9
[M+HCOO]-	512.240231	232.0
[M+CH3COO]-	526.255881	246.9
[M+Na-2H]-	488.216696	212.8
[M]+	467.24148142	224.6
[M]-	467.24257858	224.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.