CID 6446737

Brn 6002745

Structural Information

Molecular Formula
C25H19ClN2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H19ClN2O3/c1-2-31-25(30)18-10-14-20(15-11-18)28-23(16-9-17-7-12-19(26)13-8-17)27-22-6-4-3-5-21(22)24(28)29/h3-16H,2H2,1H3/b16-9+
InChIKey
BGCUCNDRXUXHMU-CXUHLZMHSA-N
Compound name
ethyl 4-[2-[(E)-2-(4-chlorophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.10843 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11571 204.1
[M+Na]+ 453.09765 213.7
[M-H]- 429.10115 211.8
[M+NH4]+ 448.14225 212.4
[M+K]+ 469.07159 205.2
[M+H-H2O]+ 413.10569 192.1
[M+HCOO]- 475.10663 218.0
[M+CH3COO]- 489.12228 213.0
[M+Na-2H]- 451.08310 206.3
[M]+ 430.10788 209.1
[M]- 430.10898 209.1
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.