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 171.1
[M+Na]+ 357.01682 182.7
[M-H]- 333.02032 175.5
[M+NH4]+ 352.06142 184.8
[M+K]+ 372.99076 176.0
[M+H-H2O]+ 317.02486 162.3
[M+HCOO]- 379.02580 182.3
[M+CH3COO]- 393.04145 182.4
[M+Na-2H]- 355.00227 177.0
[M]+ 334.02705 178.2
[M]- 334.02815 178.2
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

patents stripe