CID 3763388

4-phenyl-2-(piperazin-1-yl)quinazoline

Structural Information

Molecular Formula
C18H18N4
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C18H18N4/c1-2-6-14(7-3-1)17-15-8-4-5-9-16(15)20-18(21-17)22-12-10-19-11-13-22/h1-9,19H,10-13H2
InChIKey
GXOIDTTXZUMBPM-UHFFFAOYSA-N
Compound name
4-phenyl-2-piperazin-1-ylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

290.15314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 170.8
[M+Na]+ 313.14236 176.6
[M-H]- 289.14586 173.2
[M+NH4]+ 308.18696 179.8
[M+K]+ 329.11630 168.6
[M+H-H2O]+ 273.15040 158.1
[M+HCOO]- 335.15134 183.2
[M+CH3COO]- 349.16699 178.7
[M+Na-2H]- 311.12781 177.1
[M]+ 290.15259 163.6
[M]- 290.15369 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe