CID 57415931

233775-53-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CN1CC2=C(C=CC(=C2)N)N(C1=O)C

InChI

InChI=1S/C10H13N3O/c1-12-6-7-5-8(11)3-4-9(7)13(2)10(12)14/h3-5H,6,11H2,1-2H3

InChIKey

PLAPIGUFVSEGFT-UHFFFAOYSA-N

Compound name

6-amino-1,3-dimethyl-4H-quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.10587 Da
Monoisotopic Mass: 0.2
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]+	192.11315	141.5
[M+Na]+	214.09509	154.5
[M+NH4]+	209.13969	149.6
[M+K]+	230.06903	148.3
[M-H]-	190.09859	143.5
[M+Na-2H]-	212.08054	146.5
[M]+	191.10532	143.7
[M]-	191.10642	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe