CID 63262

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

Structural Information

Molecular Formula
C19H19ClN4O
SMILES
C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H19ClN4O/c20-16-6-2-4-8-18(16)23-11-9-22(10-12-23)14-24-13-21-17-7-3-1-5-15(17)19(24)25/h1-8,13H,9-12,14H2
InChIKey
QRPWACRIQYHWPU-UHFFFAOYSA-N
Compound name
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12473 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13201 185.3
[M+Na]+ 377.11395 193.6
[M-H]- 353.11745 189.2
[M+NH4]+ 372.15855 193.7
[M+K]+ 393.08789 185.2
[M+H-H2O]+ 337.12199 172.2
[M+HCOO]- 399.12293 194.3
[M+CH3COO]- 413.13858 193.4
[M+Na-2H]- 375.09940 189.2
[M]+ 354.12418 183.7
[M]- 354.12528 183.7
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.