CID 217674

Brn 0698380

Structural Information

Molecular Formula
C19H20N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4
InChI
InChI=1S/C19H20N4O/c1-22-11-13-23(14-12-22)19-20-17-10-6-5-9-16(17)18(21-19)24-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
RZSLGTPILMUKFS-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-phenoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

320.1637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.170976 179.5
[M+Na]+ 343.152918 186.0
[M-H]- 319.156424 183.4
[M+NH4]+ 338.197523 188.1
[M+K]+ 359.126858 179.3
[M+H-H2O]+ 303.160960 166.2
[M+HCOO]- 365.161901 193.1
[M+CH3COO]- 379.177551 187.7
[M+Na-2H]- 341.138366 184.8
[M]+ 320.16315142 176.0
[M]- 320.16424858 176.0
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