CID 6447063

Chembl268768

Structural Information

Molecular Formula
C23H25N5O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4)N)OC
InChI
InChI=1S/C23H25N5O3/c1-30-19-14-17-18(15-20(19)31-2)25-23(26-22(17)24)28-12-10-27(11-13-28)21(29)9-8-16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,24,25,26)/b9-8+
InChIKey
IKWCRLCFRBNCER-CMDGGOBGSA-N
Compound name
(E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

419.19574 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20302 203.6
[M+Na]+ 442.18496 217.4
[M+NH4]+ 437.22956 208.4
[M+K]+ 458.15890 210.1
[M-H]- 418.18846 207.7
[M+Na-2H]- 440.17041 210.0
[M]+ 419.19519 206.5
[M]- 419.19629 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

literature stripe

Patent stripe

patents stripe