CID 6447201

Brn 0720992

Structural Information

Molecular Formula
C25H19ClN2O4
SMILES
COC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=C(C=C4)C(=O)OC
InChI
InChI=1S/C25H19ClN2O4/c1-31-20-11-3-16(4-12-20)5-14-23-27-22-15-18(26)8-13-21(22)24(29)28(23)19-9-6-17(7-10-19)25(30)32-2/h3-15H,1-2H3/b14-5+
InChIKey
CMWWMCMOIGBVIO-LHHJGKSTSA-N
Compound name
methyl 4-[7-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.10333 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11061 206.9
[M+Na]+ 469.09255 217.2
[M-H]- 445.09605 215.1
[M+NH4]+ 464.13715 214.8
[M+K]+ 485.06649 209.6
[M+H-H2O]+ 429.10059 195.0
[M+HCOO]- 491.10153 221.0
[M+CH3COO]- 505.11718 216.0
[M+Na-2H]- 467.07800 208.6
[M]+ 446.10278 213.8
[M]- 446.10388 213.8
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.