CID 6447601

Methyl 4-(7-nitro-4-oxo-2-(2-phenylethenyl)-3(4h)-quinazolinyl)benzoate

Structural Information

Molecular Formula
C24H17N3O5
SMILES
COC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])/C=C/C4=CC=CC=C4
InChI
InChI=1S/C24H17N3O5/c1-32-24(29)17-8-10-18(11-9-17)26-22(14-7-16-5-3-2-4-6-16)25-21-15-19(27(30)31)12-13-20(21)23(26)28/h2-15H,1H3/b14-7+
InChIKey
DVEYPOAUMULLTC-VGOFMYFVSA-N
Compound name
methyl 4-[7-nitro-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.11682 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12410 198.8
[M+Na]+ 450.10604 216.3
[M+NH4]+ 445.15064 204.4
[M+K]+ 466.07998 210.5
[M-H]- 426.10954 205.2
[M+Na-2H]- 448.09149 208.0
[M]+ 427.11627 203.0
[M]- 427.11737 203.0
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.