CID 63425

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

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O2/c1-3-21(4-2)14-19(24)23-15-22(16-10-6-5-7-11-16)20(25)17-12-8-9-13-18(17)23/h5-13H,3-4,14-15H2,1-2H3
InChIKey
NDRVHPZPPUHBQW-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)acetyl]-3-phenyl-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 182.2
[M+Na]+ 360.168238 187.5
[M-H]- 336.171744 187.4
[M+NH4]+ 355.212843 193.9
[M+K]+ 376.142178 183.3
[M+H-H2O]+ 320.176280 171.4
[M+HCOO]- 382.177221 199.8
[M+CH3COO]- 396.192871 218.1
[M+Na-2H]- 358.153686 184.7
[M]+ 337.17847142 182.5
[M]- 337.17956858 182.5
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.