CID 3010221

961-12-6

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

CC1=NC2=C(C=C(C=C2)N)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,16H2,1H3

InChIKey

FPBIVLJREJKFNS-UHFFFAOYSA-N

Compound name

6-amino-2-methyl-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 251.10587 Da
Monoisotopic Mass: 1.5
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]+	252.11315	157.2
[M+Na]+	274.09509	168.0
[M-H]-	250.09859	162.6
[M+NH4]+	269.13969	172.4
[M+K]+	290.06903	162.1
[M+H-H2O]+	234.10313	148.0
[M+HCOO]-	296.10407	179.0
[M+CH3COO]-	310.11972	169.6
[M+Na-2H]-	272.08054	164.4
[M]+	251.10532	157.0
[M]-	251.10642	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe