CID 64025

4(1h)-quinazolinone, 2,3-dihydro-3-(m-chlorophenyl)-1-(dimethylaminoacetyl)-, hydrochloride

Structural Information

Molecular Formula
C18H18ClN3O2
SMILES
CN(C)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClN3O2/c1-20(2)11-17(23)22-12-21(14-7-5-6-13(19)10-14)18(24)15-8-3-4-9-16(15)22/h3-10H,11-12H2,1-2H3
InChIKey
GANYPVBOBAWZOQ-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[2-(dimethylamino)acetyl]-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.10876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.116036 179.3
[M+Na]+ 366.097978 187.2
[M-H]- 342.101484 185.0
[M+NH4]+ 361.142583 192.0
[M+K]+ 382.071918 182.0
[M+H-H2O]+ 326.106020 169.7
[M+HCOO]- 388.106961 193.1
[M+CH3COO]- 402.122611 217.0
[M+Na-2H]- 364.083426 181.7
[M]+ 343.10821142 181.7
[M]- 343.10930858 181.7
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.