CID 3075881

2-(4-ethyl-1-piperazinyl)-4-phenoxyquinazoline fumarate

Structural Information

Molecular Formula
C20H22N4O
SMILES
CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4
InChI
InChI=1S/C20H22N4O/c1-2-23-12-14-24(15-13-23)20-21-18-11-7-6-10-17(18)19(22-20)25-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKey
DJVFUPKSAGULCS-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-4-phenoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17935 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 183.8
[M+Na]+ 357.16857 189.8
[M-H]- 333.17207 187.5
[M+NH4]+ 352.21317 191.8
[M+K]+ 373.14251 182.9
[M+H-H2O]+ 317.17661 170.2
[M+HCOO]- 379.17755 197.1
[M+CH3COO]- 393.19320 191.6
[M+Na-2H]- 355.15402 188.5
[M]+ 334.17880 180.6
[M]- 334.17990 180.6
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.