CID 6435970

4(3h)-quinazolinone, 3-(5-nitro-2-pyridyl)-2-(2,4,6-trimethoxystyryl)-

Structural Information

Molecular Formula
C24H20N4O6
SMILES
COC1=CC(=C(C(=C1)OC)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C24H20N4O6/c1-32-16-12-20(33-2)18(21(13-16)34-3)9-11-23-26-19-7-5-4-6-17(19)24(29)27(23)22-10-8-15(14-25-22)28(30)31/h4-14H,1-3H3/b11-9+
InChIKey
LHZJPDNFXXMMPR-PKNBQFBNSA-N
Compound name
3-(5-nitropyridin-2-yl)-2-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.13828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14556 212.2
[M+Na]+ 483.12750 219.6
[M-H]- 459.13100 219.5
[M+NH4]+ 478.17210 215.8
[M+K]+ 499.10144 210.0
[M+H-H2O]+ 443.13554 202.7
[M+HCOO]- 505.13648 230.8
[M+CH3COO]- 519.15213 229.8
[M+Na-2H]- 481.11295 217.7
[M]+ 460.13773 216.4
[M]- 460.13883 216.4
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.