CID 27831

4-methoxyquinazoline

Structural Information

Molecular Formula
C9H8N2O
SMILES
COC1=NC=NC2=CC=CC=C21
InChI
InChI=1S/C9H8N2O/c1-12-9-7-4-2-3-5-8(7)10-6-11-9/h2-6H,1H3
InChIKey
QHHPPKHDJVVPQH-UHFFFAOYSA-N
Compound name
4-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.3
[M+Na]+ 183.05288 140.2
[M-H]- 159.05638 132.5
[M+NH4]+ 178.09748 149.7
[M+K]+ 199.02682 137.7
[M+H-H2O]+ 143.06092 122.9
[M+HCOO]- 205.06186 152.4
[M+CH3COO]- 219.07751 144.3
[M+Na-2H]- 181.03833 141.3
[M]+ 160.06311 131.9
[M]- 160.06421 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe