CID 3076024

2-(4-methyl-1-piperazinyl)-4-phenethyloxyquinazoline fumarate

Structural Information

Molecular Formula
C21H24N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCCC4=CC=CC=C4
InChI
InChI=1S/C21H24N4O/c1-24-12-14-25(15-13-24)21-22-19-10-6-5-9-18(19)20(23-21)26-16-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKey
WIVBIUNUVVNXDV-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-(2-phenylethoxy)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 187.7
[M+Na]+ 371.18422 204.1
[M+NH4]+ 366.22882 195.4
[M+K]+ 387.15816 194.3
[M-H]- 347.18772 193.3
[M+Na-2H]- 369.16967 197.2
[M]+ 348.19445 191.8
[M]- 348.19555 191.8
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.