CID 21851253

7-(benzyloxy)-2,4-dichloro-6-methoxyquinazoline

Structural Information

Molecular Formula
C16H12Cl2N2O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C16H12Cl2N2O2/c1-21-13-7-11-12(19-16(18)20-15(11)17)8-14(13)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey
PTQCMUDKRFNQCR-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methoxy-7-phenylmethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

334.0276 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 172.6
[M+Na]+ 357.01682 191.5
[M+NH4]+ 352.06142 181.7
[M+K]+ 372.99076 181.3
[M-H]- 333.02032 177.3
[M+Na-2H]- 355.00227 182.3
[M]+ 334.02705 177.5
[M]- 334.02815 177.5
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

patents stripe