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

55
Patents

334.0276 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.034876 171.1
[M+Na]+ 357.016818 182.7
[M-H]- 333.020324 175.5
[M+NH4]+ 352.061423 184.8
[M+K]+ 372.990758 176.0
[M+H-H2O]+ 317.024860 162.3
[M+HCOO]- 379.025801 182.3
[M+CH3COO]- 393.041451 182.4
[M+Na-2H]- 355.002266 177.0
[M]+ 334.02705142 178.2
[M]- 334.02814858 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