CID 63419

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

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CN(C)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2/c1-19(2)12-17(22)21-13-20(14-8-4-3-5-9-14)18(23)15-10-6-7-11-16(15)21/h3-11H,12-13H2,1-2H3
InChIKey
KBAWGLDLUORGQN-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)acetyl]-3-phenyl-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 173.1
[M+Na]+ 332.136958 179.3
[M-H]- 308.140464 178.7
[M+NH4]+ 327.181563 186.0
[M+K]+ 348.110898 175.6
[M+H-H2O]+ 292.145000 162.7
[M+HCOO]- 354.145941 191.5
[M+CH3COO]- 368.161591 212.2
[M+Na-2H]- 330.122406 176.7
[M]+ 309.14719142 172.7
[M]- 309.14828858 172.7
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.