CID 455475

3,4-dihydroquinazolinon 4h

Structural Information

Molecular Formula
C19H15ClN2O
SMILES
C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CC=CC=C4
InChI
InChI=1S/C19H15ClN2O/c20-15-8-9-17-16(12-15)19(14-6-7-14,22-18(23)21-17)11-10-13-4-2-1-3-5-13/h1-5,8-9,12,14H,6-7H2,(H2,21,22,23)
InChIKey
GRVLSUPSKVOUTB-UHFFFAOYSA-N
Compound name
6-chloro-4-cyclopropyl-4-(2-phenylethynyl)-1,3-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

322.08728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09456 174.7
[M+Na]+ 345.07650 191.4
[M-H]- 321.08000 178.8
[M+NH4]+ 340.12110 184.2
[M+K]+ 361.05044 176.6
[M+H-H2O]+ 305.08454 163.5
[M+HCOO]- 367.08548 182.4
[M+CH3COO]- 381.10113 183.6
[M+Na-2H]- 343.06195 179.0
[M]+ 322.08673 169.7
[M]- 322.08783 169.7
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

patents stripe