CID 3075874

4-(3-methoxyphenoxy)-2-(4-methyl-1-piperazinyl)quinazoline fumarate

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=CC(=C4)OC
InChI
InChI=1S/C20H22N4O2/c1-23-10-12-24(13-11-23)20-21-18-9-4-3-8-17(18)19(22-20)26-16-7-5-6-15(14-16)25-2/h3-9,14H,10-13H2,1-2H3
InChIKey
KPEKCCQSMMOFHE-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 186.7
[M+Na]+ 373.16352 203.2
[M+NH4]+ 368.20812 194.1
[M+K]+ 389.13746 194.4
[M-H]- 349.16702 191.9
[M+Na-2H]- 371.14897 195.8
[M]+ 350.17375 190.7
[M]- 350.17485 190.7
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.