CID 3076002

Brn 0712710

Structural Information

Molecular Formula
C20H22N4O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)OCC4=CC=CC=C4
InChI
InChI=1S/C20H22N4O/c1-23-11-13-24(14-12-23)20-21-18-10-6-5-9-17(18)19(22-20)25-15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKey
VGTLFAFTTICIEL-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-phenylmethoxyquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

334.17935 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 183.8
[M+Na]+ 357.16857 189.8
[M-H]- 333.17207 187.5
[M+NH4]+ 352.21317 191.8
[M+K]+ 373.14251 182.9
[M+H-H2O]+ 317.17661 170.2
[M+HCOO]- 379.17755 197.1
[M+CH3COO]- 393.19320 191.6
[M+Na-2H]- 355.15402 188.5
[M]+ 334.17880 180.6
[M]- 334.17990 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

literature stripe

Patent stripe

patents stripe