CID 17411

Isoapo-beta-erythroidine

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1CN2CCC3=C2C(=CC=C3)C4=CC(=O)OCC41
InChI
InChI=1S/C15H15NO2/c17-14-8-13-11(9-18-14)5-7-16-6-4-10-2-1-3-12(13)15(10)16/h1-3,8,11H,4-7,9H2
InChIKey
NFHDHFOAEACPDR-UHFFFAOYSA-N
Compound name
5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,13(17),14-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 152.8
[M+Na]+ 264.09950 163.8
[M+NH4]+ 259.14410 161.9
[M+K]+ 280.07344 159.8
[M-H]- 240.10300 156.1
[M+Na-2H]- 262.08495 155.4
[M]+ 241.10973 155.3
[M]- 241.11083 155.3
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.