CID 11057771

Proquinazid

Structural Information

Molecular Formula

C₁₄H₁₇IN₂O₂

SMILES

CCCN1C(=O)C2=C(C=CC(=C2)I)N=C1OCCC

InChI

InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3

InChIKey

FLVBXVXXXMLMOX-UHFFFAOYSA-N

Compound name

6-iodo-2-propoxy-3-propylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 20922
Patents: 372.03348 Da
Monoisotopic Mass: 3.7
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]+	373.04076	169.2
[M+Na]+	395.02270	176.0
[M+NH4]+	390.06730	172.2
[M+K]+	410.99664	171.7
[M-H]-	371.02620	164.5
[M+Na-2H]-	393.00815	162.2
[M]+	372.03293	167.8
[M]-	372.03403	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe