CID 25805062

199105-15-2

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

C1CNCCC12NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C12H15N3O/c16-11-9-3-1-2-4-10(9)14-12(15-11)5-7-13-8-6-12/h1-4,13-14H,5-8H2,(H,15,16)

InChIKey

DMCVIPFZUCHMQV-UHFFFAOYSA-N

Compound name

spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 217.1215 Da
Monoisotopic Mass: 1.0
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]+	218.12878	151.7
[M+Na]+	240.11072	157.2
[M-H]-	216.11422	149.1
[M+NH4]+	235.15532	166.8
[M+K]+	256.08466	150.8
[M+H-H2O]+	200.11876	143.0
[M+HCOO]-	262.11970	161.2
[M+CH3COO]-	276.13535	160.1
[M+Na-2H]-	238.09617	158.2
[M]+	217.12095	140.0
[M]-	217.12205	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe