CID 3075881

Quinazoline, 2-(4-ethyl-1-piperazinyl)-4-phenoxy-, (e)-2-butenedioate (1:1)

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]+ 335.186626 183.8
[M+Na]+ 357.168568 189.8
[M-H]- 333.172074 187.5
[M+NH4]+ 352.213173 191.8
[M+K]+ 373.142508 182.9
[M+H-H2O]+ 317.176610 170.2
[M+HCOO]- 379.177551 197.1
[M+CH3COO]- 393.193201 191.6
[M+Na-2H]- 355.154016 188.5
[M]+ 334.17880142 180.6
[M]- 334.17989858 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.