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

6
Annotation Hits: 2
References: 22048
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	164.1
[M+Na]+	395.02270	167.1
[M-H]-	371.02620	159.1
[M+NH4]+	390.06730	175.1
[M+K]+	410.99664	169.0
[M+H-H2O]+	355.03074	152.4
[M+HCOO]-	417.03168	179.5
[M+CH3COO]-	431.04733	207.3
[M+Na-2H]-	393.00815	158.0
[M]+	372.03293	166.4
[M]-	372.03403	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe