CID 64100

Hpt 861

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN(C)CCN1C(NC(=O)C2=C1C=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H20ClN3O/c1-21(2)10-11-22-16-12-14(19)8-9-15(16)18(23)20-17(22)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,20,23)
InChIKey
DVJVRRWKOLPHQF-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(dimethylamino)ethyl]-2-phenyl-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 178.0
[M+Na]+ 352.11872 185.6
[M-H]- 328.12222 182.1
[M+NH4]+ 347.16332 190.8
[M+K]+ 368.09266 178.9
[M+H-H2O]+ 312.12676 168.6
[M+HCOO]- 374.12770 190.8
[M+CH3COO]- 388.14335 187.6
[M+Na-2H]- 350.10417 180.9
[M]+ 329.12895 178.4
[M]- 329.13005 178.4
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.