CID 24212508

853344-24-8

Structural Information

Molecular Formula
C19H21N5
SMILES
CN1CCN(CC1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C19H21N5/c1-23-11-13-24(14-12-23)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,(H,20,21,22)
InChIKey
IXJMKGIWGPRJSF-UHFFFAOYSA-N
Compound name
N-(4-methylpiperazin-1-yl)-2-phenylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18698 178.6
[M+Na]+ 342.16892 184.6
[M-H]- 318.17242 182.6
[M+NH4]+ 337.21352 187.2
[M+K]+ 358.14286 177.1
[M+H-H2O]+ 302.17696 165.5
[M+HCOO]- 364.17790 193.3
[M+CH3COO]- 378.19355 186.6
[M+Na-2H]- 340.15437 184.9
[M]+ 319.17915 173.4
[M]- 319.18025 173.4
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.