CID 135542475

Chrysogine

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C[C@@H](C1=NC2=CC=CC=C2C(=O)N1)O

InChI

InChI=1S/C10H10N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-6,13H,1H3,(H,11,12,14)/t6-/m0/s1

InChIKey

BMBSGGZMJQTQSO-LURJTMIESA-N

Compound name

2-[(1S)-1-hydroxyethyl]-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 11
Patents: 190.07423 Da
Monoisotopic Mass: 0.4
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]+	191.081506	138.8
[M+Na]+	213.063448	148.2
[M-H]-	189.066954	138.5
[M+NH4]+	208.108053	155.6
[M+K]+	229.037388	144.1
[M+H-H2O]+	173.071490	132.0
[M+HCOO]-	235.072431	156.9
[M+CH3COO]-	249.088081	178.6
[M+Na-2H]-	211.048896	146.3
[M]+	190.07368142	137.5
[M]-	190.07477858	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe