CID 455477

3,4-dihydroquinazolinon 4j

Structural Information

Molecular Formula
C20H14ClN3O
SMILES
C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CC=C4C#N
InChI
InChI=1S/C20H14ClN3O/c21-16-7-8-18-17(11-16)20(15-5-6-15,24-19(25)23-18)10-9-13-3-1-2-4-14(13)12-22/h1-4,7-8,11,15H,5-6H2,(H2,23,24,25)
InChIKey
FMYUTKMVQXUAHS-UHFFFAOYSA-N
Compound name
2-[2-(6-chloro-4-cyclopropyl-2-oxo-1,3-dihydroquinazolin-4-yl)ethynyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.08255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08983 179.4
[M+Na]+ 370.07177 198.8
[M-H]- 346.07527 184.3
[M+NH4]+ 365.11637 187.4
[M+K]+ 386.04571 182.1
[M+H-H2O]+ 330.07981 168.1
[M+HCOO]- 392.08075 184.6
[M+CH3COO]- 406.09640 186.4
[M+Na-2H]- 368.05722 182.0
[M]+ 347.08200 173.4
[M]- 347.08310 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.