CID 6435931

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

Structural Information

Molecular Formula
C21H13ClN4O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C4=NC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H13ClN4O3/c22-15-5-3-4-14(12-15)8-10-20-24-18-7-2-1-6-17(18)21(27)25(20)19-11-9-16(13-23-19)26(28)29/h1-13H/b10-8+
InChIKey
UOUMFTDPFINYKH-CSKARUKUSA-N
Compound name
2-[(E)-2-(3-chlorophenyl)ethenyl]-3-(5-nitropyridin-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.06763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07491 191.6
[M+Na]+ 427.05685 211.7
[M+NH4]+ 422.10145 198.7
[M+K]+ 443.03079 203.9
[M-H]- 403.06035 198.7
[M+Na-2H]- 425.04230 202.3
[M]+ 404.06708 196.9
[M]- 404.06818 196.9
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.