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

4
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

literature stripe

Patent stripe

patents stripe