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

146
Patents

236.03525 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.042526 147.0
[M+Na]+ 259.024468 157.6
[M-H]- 235.027974 149.1
[M+NH4]+ 254.069073 164.3
[M+K]+ 274.998408 153.3
[M+H-H2O]+ 219.032510 139.9
[M+HCOO]- 281.033451 163.2
[M+CH3COO]- 295.049101 189.6
[M+Na-2H]- 257.009916 154.5
[M]+ 236.03470142 151.7
[M]- 236.03579858 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