CID 63388

Hpt 856

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN(C)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClN3O/c1-21(2)11-12-22-16-6-4-3-5-15(16)18(23)20-17(22)13-7-9-14(19)10-8-13/h3-10,17H,11-12H2,1-2H3,(H,20,23)
InChIKey
SVGHKRYQPIUISU-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 177.4
[M+Na]+ 352.11872 192.5
[M+NH4]+ 347.16332 185.7
[M+K]+ 368.09266 183.6
[M-H]- 328.12222 182.1
[M+Na-2H]- 350.10417 184.7
[M]+ 329.12895 181.2
[M]- 329.13005 181.2
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.