CID 3075867

Brn 3629225

Structural Information

Molecular Formula
C19H19FN4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)F
InChI
InChI=1S/C19H19FN4O/c1-23-10-12-24(13-11-23)19-21-17-5-3-2-4-16(17)18(22-19)25-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3
InChIKey
MLBWTJYZZFBRSL-UHFFFAOYSA-N
Compound name
4-(4-fluorophenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1543 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16158 183.9
[M+Na]+ 361.14352 191.4
[M-H]- 337.14702 186.8
[M+NH4]+ 356.18812 192.0
[M+K]+ 377.11746 184.1
[M+H-H2O]+ 321.15156 169.7
[M+HCOO]- 383.15250 196.4
[M+CH3COO]- 397.16815 191.8
[M+Na-2H]- 359.12897 187.7
[M]+ 338.15375 179.9
[M]- 338.15485 179.9
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.