CID 22022160

4-chloro-7-methoxyquinazolin-6-yl acetate

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CC(=O)OC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
InChI
InChI=1S/C11H9ClN2O3/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12/h3-5H,1-2H3
InChIKey
VWBHHSJRPOSFGG-UHFFFAOYSA-N
Compound name
(4-chloro-7-methoxyquinazolin-6-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

542
Patents

252.03017 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 150.4
[M+Na]+ 275.01939 165.8
[M+NH4]+ 270.06399 158.1
[M+K]+ 290.99333 159.1
[M-H]- 251.02289 151.5
[M+Na-2H]- 273.00484 156.9
[M]+ 252.02962 153.2
[M]- 252.03072 153.2
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