CID 64051

Hpt 855

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CCN(CC)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3O/c1-3-23(4-2)13-14-24-18-8-6-5-7-17(18)20(25)22-19(24)15-9-11-16(21)12-10-15/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKey
FYNONADAFDXUOK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1608 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 187.0
[M+Na]+ 380.15002 193.7
[M-H]- 356.15352 190.7
[M+NH4]+ 375.19462 198.6
[M+K]+ 396.12396 186.5
[M+H-H2O]+ 340.15806 177.1
[M+HCOO]- 402.15900 199.1
[M+CH3COO]- 416.17465 218.8
[M+Na-2H]- 378.13547 188.8
[M]+ 357.16025 188.1
[M]- 357.16135 188.1
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.