CID 3033915

4(1h)-quinazolinone, 2,3-dihydro-3-(5-(4-phenyl-1-piperazinyl)pentyl)-2-thioxo-, dihydrochloride

Structural Information

Molecular Formula
C23H28N4OS
SMILES
C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4OS/c28-22-20-11-5-6-12-21(20)24-23(29)27(22)14-8-2-7-13-25-15-17-26(18-16-25)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,24,29)
InChIKey
HNTQSAZXBBEJPU-UHFFFAOYSA-N
Compound name
3-[5-(4-phenylpiperazin-1-yl)pentyl]-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1984 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.20568 199.2
[M+Na]+ 431.18762 205.6
[M-H]- 407.19112 201.6
[M+NH4]+ 426.23222 204.8
[M+K]+ 447.16156 195.5
[M+H-H2O]+ 391.19566 187.2
[M+HCOO]- 453.19660 206.0
[M+CH3COO]- 467.21225 205.2
[M+Na-2H]- 429.17307 199.3
[M]+ 408.19785 196.9
[M]- 408.19895 196.9
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.