CID 3075879

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

Structural Information

Molecular Formula
C21H22N4O
SMILES
C=CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC=C4
InChI
InChI=1S/C21H22N4O/c1-2-12-24-13-15-25(16-14-24)21-22-19-11-7-6-10-18(19)20(23-21)26-17-8-4-3-5-9-17/h2-11H,1,12-16H2
InChIKey
FHXBCXIILHCEGI-UHFFFAOYSA-N
Compound name
4-phenoxy-2-(4-prop-2-enylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.17935 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18663 187.3
[M+Na]+ 369.16857 193.1
[M-H]- 345.17207 190.8
[M+NH4]+ 364.21317 194.7
[M+K]+ 385.14251 185.4
[M+H-H2O]+ 329.17661 173.5
[M+HCOO]- 391.17755 200.4
[M+CH3COO]- 405.19320 194.7
[M+Na-2H]- 367.15402 191.5
[M]+ 346.17880 183.7
[M]- 346.17990 183.7
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.