CID 6912361

132680-94-5

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C\2/C3=CC(=C(C=C3CC(N2)(C)C)OC)OC
InChI
InChI=1S/C24H28N2O5/c1-6-31-23(28)15-7-9-17(10-8-15)25-22(27)13-19-18-12-21(30-5)20(29-4)11-16(18)14-24(2,3)26-19/h7-13,26H,6,14H2,1-5H3,(H,25,27)/b19-13-
InChIKey
HJCZQQNDQPHTFD-UYRXBGFRSA-N
Compound name
ethyl 4-[[(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19983 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 202.8
[M+Na]+ 447.18905 213.7
[M+NH4]+ 442.23365 208.7
[M+K]+ 463.16299 205.9
[M-H]- 423.19255 204.9
[M+Na-2H]- 445.17450 207.6
[M]+ 424.19928 204.8
[M]- 424.20038 204.8
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.