CID 6447203

72889-51-1

Structural Information

Molecular Formula
C23H17ClN2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)/C=C/C4=CC=CO4
InChI
InChI=1S/C23H17ClN2O4/c1-2-29-23(28)15-5-8-17(9-6-15)26-21(12-10-18-4-3-13-30-18)25-20-14-16(24)7-11-19(20)22(26)27/h3-14H,2H2,1H3/b12-10+
InChIKey
GPYDOKSBGTVNCY-ZRDIBKRKSA-N
Compound name
ethyl 4-[7-chloro-2-[(E)-2-(furan-2-yl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.08768 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09496 197.8
[M+Na]+ 443.07690 216.1
[M+NH4]+ 438.12150 204.3
[M+K]+ 459.05084 208.9
[M-H]- 419.08040 204.1
[M+Na-2H]- 441.06235 206.4
[M]+ 420.08713 202.7
[M]- 420.08823 202.7
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

No patent data available for this compound.