CID 12213273

7-methoxyquinazoline

Structural Information

Molecular Formula
C9H8N2O
SMILES
COC1=CC2=NC=NC=C2C=C1
InChI
InChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
InChIKey
CHRMMMLUWHPZAH-UHFFFAOYSA-N
Compound name
7-methoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

411
Patents

160.06366 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.8
[M+Na]+ 183.05288 146.3
[M+NH4]+ 178.09748 140.2
[M+K]+ 199.02682 138.8
[M-H]- 159.05638 133.3
[M+Na-2H]- 181.03833 139.7
[M]+ 160.06311 133.8
[M]- 160.06421 133.8
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