CID 165914953

Methyl 4-chloro-2-methylquinazoline-6-carboxylate

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
CC1=NC2=C(C=C(C=C2)C(=O)OC)C(=N1)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-6-13-9-4-3-7(11(15)16-2)5-8(9)10(12)14-6/h3-5H,1-2H3
InChIKey
VNBHDJYQRFLNFG-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-methylquinazoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.03525 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04253 147.4
[M+Na]+ 259.02447 163.3
[M+NH4]+ 254.06907 155.8
[M+K]+ 274.99841 156.2
[M-H]- 235.02797 149.1
[M+Na-2H]- 257.00992 154.4
[M]+ 236.03470 150.5
[M]- 236.03580 150.5
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.