CID 670909

Brn 5602974

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₃

SMILES

COC1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15N3O3/c1-23-13-8-6-12(7-9-13)19-16(21)10-20-11-18-15-5-3-2-4-14(15)17(20)22/h2-9,11H,10H2,1H3,(H,19,21)

InChIKey

SMRMBQLYQMAXFZ-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 309.11133 Da
Monoisotopic Mass: 1.8
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]+	310.11861	170.2
[M+Na]+	332.10055	178.6
[M-H]-	308.10405	175.4
[M+NH4]+	327.14515	182.6
[M+K]+	348.07449	174.0
[M+H-H2O]+	292.10859	160.0
[M+HCOO]-	354.10953	191.5
[M+CH3COO]-	368.12518	207.5
[M+Na-2H]-	330.08600	177.1
[M]+	309.11078	172.5
[M]-	309.11188	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe