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]+ 344.11604 179.3
[M+Na]+ 366.09798 187.2
[M-H]- 342.10148 185.0
[M+NH4]+ 361.14258 192.0
[M+K]+ 382.07192 182.0
[M+H-H2O]+ 326.10602 169.7
[M+HCOO]- 388.10696 193.1
[M+CH3COO]- 402.12261 217.0
[M+Na-2H]- 364.08343 181.7
[M]+ 343.10821 181.7
[M]- 343.10931 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.