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]+ 237.042526 146.9
[M+Na]+ 259.024468 158.4
[M-H]- 235.027974 149.4
[M+NH4]+ 254.069073 164.5
[M+K]+ 274.998408 154.2
[M+H-H2O]+ 219.032510 140.1
[M+HCOO]- 281.033451 163.1
[M+CH3COO]- 295.049101 190.8
[M+Na-2H]- 257.009916 153.7
[M]+ 236.03470142 152.0
[M]- 236.03579858 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.