CID 5188211

70589-51-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CC(C)C1=NC2=CC=CC=C2C(=O)N1N

InChI

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

InChIKey

LCQQIOWBOMPHSJ-UHFFFAOYSA-N

Compound name

3-amino-2-propan-2-ylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 203.10587 Da
Monoisotopic Mass: 1.2
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]+	204.11315	144.1
[M+Na]+	226.09509	154.2
[M-H]-	202.09859	146.3
[M+NH4]+	221.13969	161.6
[M+K]+	242.06903	150.5
[M+H-H2O]+	186.10313	136.6
[M+HCOO]-	248.10407	165.1
[M+CH3COO]-	262.11972	190.0
[M+Na-2H]-	224.08054	150.6
[M]+	203.10532	144.2
[M]-	203.10642	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe