CID 6435950

4(3h)-quinazolinone, 3-(5-nitro-2-pyridyl)-2-(m-hydroxystyryl)-

Structural Information

Molecular Formula
C21H14N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)O)C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H14N4O4/c26-16-5-3-4-14(12-16)8-10-20-23-18-7-2-1-6-17(18)21(27)24(20)19-11-9-15(13-22-19)25(28)29/h1-13,26H/b10-8+
InChIKey
FGOVYFDOVYAYJS-CSKARUKUSA-N
Compound name
2-[(E)-2-(3-hydroxyphenyl)ethenyl]-3-(5-nitropyridin-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10878 191.0
[M+Na]+ 409.09072 198.5
[M-H]- 385.09422 196.8
[M+NH4]+ 404.13532 196.9
[M+K]+ 425.06466 186.9
[M+H-H2O]+ 369.09876 182.8
[M+HCOO]- 431.09970 209.3
[M+CH3COO]- 445.11535 212.0
[M+Na-2H]- 407.07617 198.8
[M]+ 386.10095 189.3
[M]- 386.10205 189.3
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.