CID 3075868

Brn 3629695

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)OC
InChI
InChI=1S/C20H22N4O2/c1-23-11-13-24(14-12-23)20-21-18-6-4-3-5-17(18)19(22-20)26-16-9-7-15(25-2)8-10-16/h3-10H,11-14H2,1-2H3
InChIKey
HAUFPAFADZJDKU-UHFFFAOYSA-N
Compound name
4-(4-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 187.8
[M+Na]+ 373.16352 194.5
[M-H]- 349.16702 191.9
[M+NH4]+ 368.20812 195.4
[M+K]+ 389.13746 188.3
[M+H-H2O]+ 333.17156 174.2
[M+HCOO]- 395.17250 201.2
[M+CH3COO]- 409.18815 195.7
[M+Na-2H]- 371.14897 191.8
[M]+ 350.17375 186.4
[M]- 350.17485 186.4
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.