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

789
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

literature stripe

Patent stripe

patents stripe