CID 64085

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

Structural Information

Molecular Formula
C20H22ClN3O2
SMILES
CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C20H22ClN3O2/c1-3-22(4-2)13-19(25)24-14-23(16-9-7-8-15(21)12-16)20(26)17-10-5-6-11-18(17)24/h5-12H,3-4,13-14H2,1-2H3
InChIKey
HWHRACMSQATXTN-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[2-(diethylamino)acetyl]-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14733 188.4
[M+Na]+ 394.12927 195.4
[M-H]- 370.13277 193.8
[M+NH4]+ 389.17387 200.0
[M+K]+ 410.10321 189.8
[M+H-H2O]+ 354.13731 178.4
[M+HCOO]- 416.13825 201.5
[M+CH3COO]- 430.15390 222.8
[M+Na-2H]- 392.11472 189.8
[M]+ 371.13950 191.4
[M]- 371.14060 191.4
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.