CID 63392

Hpt 862

Structural Information

Molecular Formula
C18H19Cl2N3O
SMILES
CN(C)CCN1C(NC(=O)C2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19Cl2N3O/c1-22(2)9-10-23-16-11-14(20)7-8-15(16)18(24)21-17(23)12-3-5-13(19)6-4-12/h3-8,11,17H,9-10H2,1-2H3,(H,21,24)
InChIKey
BWQDZTIDRDNPPW-UHFFFAOYSA-N
Compound name
7-chloro-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

363.0905 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09778 183.6
[M+Na]+ 386.07972 192.4
[M-H]- 362.08322 187.2
[M+NH4]+ 381.12432 195.8
[M+K]+ 402.05366 184.9
[M+H-H2O]+ 346.08776 174.9
[M+HCOO]- 408.08870 191.3
[M+CH3COO]- 422.10435 192.7
[M+Na-2H]- 384.06517 185.0
[M]+ 363.08995 185.8
[M]- 363.09105 185.8
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.