CID 3033672

78915-25-0

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]+ 410.243816 202.0
[M+Na]+ 432.225758 206.2
[M-H]- 408.229264 207.1
[M+NH4]+ 427.270363 211.7
[M+K]+ 448.199698 201.1
[M+H-H2O]+ 392.233800 191.5
[M+HCOO]- 454.234741 220.3
[M+CH3COO]- 468.250391 233.9
[M+Na-2H]- 430.211206 202.4
[M]+ 409.23599142 203.5
[M]- 409.23708858 203.5
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.