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 146.9
[M+Na]+ 259.02447 158.4
[M-H]- 235.02797 149.4
[M+NH4]+ 254.06907 164.5
[M+K]+ 274.99841 154.2
[M+H-H2O]+ 219.03251 140.1
[M+HCOO]- 281.03345 163.1
[M+CH3COO]- 295.04910 190.8
[M+Na-2H]- 257.00992 153.7
[M]+ 236.03470 152.0
[M]- 236.03580 152.0
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.