CID 10242

Vasicinone hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1CN2C(=NC3=CC=CC=C3C2=O)C1O

InChI

InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2

InChIKey

SDIVYZXRQHWCKF-UHFFFAOYSA-N

Compound name

3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 49
References: 125
Patents: 202.07423 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]+	203.08151	140.6
[M+Na]+	225.06345	151.4
[M-H]-	201.06695	142.8
[M+NH4]+	220.10805	160.7
[M+K]+	241.03739	147.1
[M+H-H2O]+	185.07149	133.8
[M+HCOO]-	247.07243	160.0
[M+CH3COO]-	261.08808	153.8
[M+Na-2H]-	223.04890	147.6
[M]+	202.07368	140.7
[M]-	202.07478	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe