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]+ 425.207106 202.7
[M+Na]+ 447.189048 208.1
[M-H]- 423.192554 207.0
[M+NH4]+ 442.233653 213.3
[M+K]+ 463.162988 204.2
[M+H-H2O]+ 407.197090 193.5
[M+HCOO]- 469.198031 218.0
[M+CH3COO]- 483.213681 229.4
[M+Na-2H]- 445.174496 202.7
[M]+ 424.19928142 205.0
[M]- 424.20037858 205.0
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.