CID 10661998

162364-72-9

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O2/c1-20-14-7-12-13(18-10-19-16(12)17)8-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
InChIKey
LBGIYCBNJBHZSZ-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

777
Patents

300.06656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 166.2
[M+Na]+ 323.05578 176.6
[M-H]- 299.05928 171.1
[M+NH4]+ 318.10038 180.4
[M+K]+ 339.02972 170.7
[M+H-H2O]+ 283.06382 156.7
[M+HCOO]- 345.06476 182.5
[M+CH3COO]- 359.08041 177.9
[M+Na-2H]- 321.04123 173.6
[M]+ 300.06601 171.6
[M]- 300.06711 171.6
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.