CID 804988

146381-56-8

Structural Information

Molecular Formula

C₁₁H₁₀N₂OS

SMILES

C1CC1N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C11H10N2OS/c14-10-8-3-1-2-4-9(8)12-11(15)13(10)7-5-6-7/h1-4,7H,5-6H2,(H,12,15)

InChIKey

HXZKZIDCGWOBNU-UHFFFAOYSA-N

Compound name

3-cyclopropyl-2-sulfanylidene-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 218.05139 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]+	219.05867	146.6
[M+Na]+	241.04061	159.4
[M-H]-	217.04411	151.6
[M+NH4]+	236.08521	159.1
[M+K]+	257.01455	152.3
[M+H-H2O]+	201.04865	139.4
[M+HCOO]-	263.04959	162.5
[M+CH3COO]-	277.06524	158.9
[M+Na-2H]-	239.02606	151.3
[M]+	218.05084	149.4
[M]-	218.05194	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe