CID 455514

3,4-dihydroquinazolinon 4l

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CO4
InChI
InChI=1S/C17H13ClN2O2/c18-12-5-6-15-14(10-12)17(11-3-4-11,20-16(21)19-15)8-7-13-2-1-9-22-13/h1-2,5-6,9-11H,3-4H2,(H2,19,20,21)
InChIKey
XRWCMYGWXHGDLW-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclopropyl-4-[2-(furan-2-yl)ethynyl]-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 167.8
[M+Na]+ 335.05578 185.3
[M-H]- 311.05928 172.8
[M+NH4]+ 330.10038 178.2
[M+K]+ 351.02972 172.2
[M+H-H2O]+ 295.06382 157.1
[M+HCOO]- 357.06476 175.7
[M+CH3COO]- 371.08041 177.8
[M+Na-2H]- 333.04123 171.3
[M]+ 312.06601 164.8
[M]- 312.06711 164.8
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.