CID 63504

4(3h)-quinazolinone, 3-(4-(p-methoxyphenyl)-1-piperazinylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H22N4O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CN3C=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C20H22N4O2/c1-26-17-8-6-16(7-9-17)23-12-10-22(11-13-23)15-24-14-21-19-5-3-2-4-18(19)20(24)25/h2-9,14H,10-13,15H2,1H3
InChIKey
UTTKUTCFKKNOIY-UHFFFAOYSA-N
Compound name
3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 186.0
[M+Na]+ 373.16352 202.4
[M+NH4]+ 368.20812 193.0
[M+K]+ 389.13746 193.6
[M-H]- 349.16702 190.9
[M+Na-2H]- 371.14897 194.9
[M]+ 350.17375 189.8
[M]- 350.17485 189.8
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.