CID 53213375

Ethyl 4-chloro-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

Structural Information

Molecular Formula
C10H9ClN2O3
SMILES
CCOC(=O)C1=C(OC2=C1C(=NC=N2)Cl)C
InChI
InChI=1S/C10H9ClN2O3/c1-3-15-10(14)6-5(2)16-9-7(6)8(11)12-4-13-9/h4H,3H2,1-2H3
InChIKey
KYICZZMHFVEKKR-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

240.03017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03745 147.2
[M+Na]+ 263.01939 160.1
[M-H]- 239.02289 150.9
[M+NH4]+ 258.06399 165.3
[M+K]+ 278.99333 157.5
[M+H-H2O]+ 223.02743 141.0
[M+HCOO]- 285.02837 165.1
[M+CH3COO]- 299.04402 189.6
[M+Na-2H]- 261.00484 153.3
[M]+ 240.02962 156.0
[M]- 240.03072 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe