CID 3033672

Brn 5641043

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CCN(CC)CCN/C=C\1/C2=CC(=C(C=C2C(NC1=O)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C24H31N3O3/c1-5-27(6-2)13-12-25-16-20-18-14-21(29-3)22(30-4)15-19(18)23(26-24(20)28)17-10-8-7-9-11-17/h7-11,14-16,23,25H,5-6,12-13H2,1-4H3,(H,26,28)/b20-16-
InChIKey
GEMCATJSELWTHG-SILNSSARSA-N
Compound name
(4Z)-4-[[2-(diethylamino)ethylamino]methylidene]-6,7-dimethoxy-1-phenyl-1,2-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.23654 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24382 203.0
[M+Na]+ 432.22576 214.3
[M+NH4]+ 427.27036 208.8
[M+K]+ 448.19970 206.3
[M-H]- 408.22926 207.2
[M+Na-2H]- 430.21121 207.5
[M]+ 409.23599 205.5
[M]- 409.23709 205.5
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.