CID 37836

37795-71-4

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1CON2C1=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C11H10N2O2/c1-7-6-15-13-10(7)12-9-5-3-2-4-8(9)11(13)14/h2-5,7H,6H2,1H3

InChIKey

FASHSDVYBORDDB-UHFFFAOYSA-N

Compound name

3-methyl-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1
Patents: 202.07423 Da
Monoisotopic Mass: 1.2
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]+	203.081506	140.0
[M+Na]+	225.063448	151.5
[M-H]-	201.066954	144.2
[M+NH4]+	220.108053	159.5
[M+K]+	241.037388	148.9
[M+H-H2O]+	185.071490	133.0
[M+HCOO]-	247.072431	160.0
[M+CH3COO]-	261.088081	154.1
[M+Na-2H]-	223.048896	147.9
[M]+	202.07368142	142.5
[M]-	202.07477858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe