CID 3477840

Ethyl 4-chloroquinazoline-2-carboxylate

Structural Information

Molecular Formula
C11H9ClN2O2
SMILES
CCOC(=O)C1=NC2=CC=CC=C2C(=N1)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
InChIKey
ZMAJSODACDWUAS-UHFFFAOYSA-N
Compound name
ethyl 4-chloroquinazoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

236.03525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.04253 147.0
[M+Na]+ 259.02447 157.6
[M-H]- 235.02797 149.1
[M+NH4]+ 254.06907 164.3
[M+K]+ 274.99841 153.3
[M+H-H2O]+ 219.03251 139.9
[M+HCOO]- 281.03345 163.2
[M+CH3COO]- 295.04910 189.6
[M+Na-2H]- 257.00992 154.5
[M]+ 236.03470 151.7
[M]- 236.03580 151.7
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

patents stripe