CID 3076906

4-quinazolinamine, 6,7-dimethoxy-2-(4-phenyl-1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H23N5O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)N)OC
InChI
InChI=1S/C20H23N5O2/c1-26-17-12-15-16(13-18(17)27-2)22-20(23-19(15)21)25-10-8-24(9-11-25)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,21,22,23)
InChIKey
MFIDHISLMOJQRL-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

365.18518 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 191.8
[M+Na]+ 388.17440 198.7
[M-H]- 364.17790 196.1
[M+NH4]+ 383.21900 198.6
[M+K]+ 404.14834 192.2
[M+H-H2O]+ 348.18244 178.6
[M+HCOO]- 410.18338 205.7
[M+CH3COO]- 424.19903 199.4
[M+Na-2H]- 386.15985 195.0
[M]+ 365.18463 189.6
[M]- 365.18573 189.6
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.