CID 454717

143871-26-5

Structural Information

Molecular Formula
C19H20N4
SMILES
CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H20N4/c1-22-11-13-23(14-12-22)19-16-9-5-6-10-17(16)20-18(21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKey
ISTAMDOKBVHVBX-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

304.1688 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.176076 176.5
[M+Na]+ 327.158018 183.3
[M-H]- 303.161524 180.5
[M+NH4]+ 322.202623 186.0
[M+K]+ 343.131958 175.9
[M+H-H2O]+ 287.166060 163.4
[M+HCOO]- 349.167001 190.0
[M+CH3COO]- 363.182651 185.0
[M+Na-2H]- 325.143466 181.8
[M]+ 304.16825142 171.7
[M]- 304.16934858 171.7
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