CID 63520

Brn 0710679

Structural Information

Molecular Formula
C21H17N3O3
SMILES
COC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=N4
InChI
InChI=1S/C21H17N3O3/c1-26-17-10-4-5-11-18(17)27-14-20-23-16-9-3-2-8-15(16)21(25)24(20)19-12-6-7-13-22-19/h2-13H,14H2,1H3
InChIKey
OOJHHFFLHTUWEI-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.12698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13426 186.9
[M+Na]+ 382.11620 196.3
[M-H]- 358.11970 193.6
[M+NH4]+ 377.16080 195.6
[M+K]+ 398.09014 189.8
[M+H-H2O]+ 342.12424 174.0
[M+HCOO]- 404.12518 205.8
[M+CH3COO]- 418.14083 196.7
[M+Na-2H]- 380.10165 193.5
[M]+ 359.12643 190.2
[M]- 359.12753 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.