CID 64106

4(3h)-quinazolinone, 3-(4-(o-tolyl)-1-piperazinylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H22N4O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C20H22N4O/c1-16-6-2-5-9-19(16)23-12-10-22(11-13-23)15-24-14-21-18-8-4-3-7-17(18)20(24)25/h2-9,14H,10-13,15H2,1H3
InChIKey
NKEDZPUADGNDQZ-UHFFFAOYSA-N
Compound name
3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 182.8
[M+Na]+ 357.16857 199.8
[M+NH4]+ 352.21317 190.5
[M+K]+ 373.14251 190.4
[M-H]- 333.17207 188.3
[M+Na-2H]- 355.15402 192.2
[M]+ 334.17880 186.9
[M]- 334.17990 186.9
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.