CID 3064572

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

Structural Information

Molecular Formula
C22H23N7O2
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NC5=CC=CC=C5C=N4)N)OC
InChI
InChI=1S/C22H23N7O2/c1-30-18-11-15-17(12-19(18)31-2)26-22(27-20(15)23)29-9-7-28(8-10-29)21-24-13-14-5-3-4-6-16(14)25-21/h3-6,11-13H,7-10H2,1-2H3,(H2,23,26,27)
InChIKey
QMUKPARNTWCUCX-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(4-quinazolin-2-ylpiperazin-1-yl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1913 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19858 207.0
[M+Na]+ 440.18052 215.8
[M-H]- 416.18402 209.9
[M+NH4]+ 435.22512 209.7
[M+K]+ 456.15446 207.2
[M+H-H2O]+ 400.18856 191.9
[M+HCOO]- 462.18950 218.0
[M+CH3COO]- 476.20515 213.1
[M+Na-2H]- 438.16597 212.3
[M]+ 417.19075 206.5
[M]- 417.19185 206.5
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.