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 200.1
[M+Na]+ 443.07690 211.6
[M-H]- 419.08040 209.7
[M+NH4]+ 438.12150 209.7
[M+K]+ 459.05084 205.2
[M+H-H2O]+ 403.08494 189.7
[M+HCOO]- 465.08588 216.3
[M+CH3COO]- 479.10153 210.7
[M+Na-2H]- 441.06235 201.6
[M]+ 420.08713 208.9
[M]- 420.08823 208.9
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.