CID 44240142

Memogain

Structural Information

Molecular Formula
C24H25NO4
SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1
InChIKey
JKVNJTYHRABHIY-WXVUKLJWSA-N
Compound name
[(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

76
Patents

391.17834 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 195.7
[M+Na]+ 414.16756 201.2
[M-H]- 390.17106 204.8
[M+NH4]+ 409.21216 209.8
[M+K]+ 430.14150 200.4
[M+H-H2O]+ 374.17560 187.6
[M+HCOO]- 436.17654 208.5
[M+CH3COO]- 450.19219 204.5
[M+Na-2H]- 412.15301 197.2
[M]+ 391.17779 195.1
[M]- 391.17889 195.1
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.