CID 135566758

1235852-48-8

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC1=NC2=C(C=C(C=C2)CNC)C(=O)N1

InChI

InChI=1S/C11H13N3O/c1-7-13-10-4-3-8(6-12-2)5-9(10)11(15)14-7/h3-5,12H,6H2,1-2H3,(H,13,14,15)

InChIKey

OXCZVJICLFZQLN-UHFFFAOYSA-N

Compound name

2-methyl-6-(methylaminomethyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.10587 Da
Monoisotopic Mass: 0.1
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]+	204.113146	143.8
[M+Na]+	226.095088	153.7
[M-H]-	202.098594	144.9
[M+NH4]+	221.139693	160.9
[M+K]+	242.069028	149.0
[M+H-H2O]+	186.103130	136.4
[M+HCOO]-	248.104071	164.9
[M+CH3COO]-	262.119721	187.2
[M+Na-2H]-	224.080536	152.0
[M]+	203.10532142	143.6
[M]-	203.10641858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe