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 151.1
[M+Na]+ 264.09950 158.3
[M-H]- 240.10300 157.1
[M+NH4]+ 259.14410 170.2
[M+K]+ 280.07344 157.4
[M+H-H2O]+ 224.10754 145.9
[M+HCOO]- 286.10848 166.4
[M+CH3COO]- 300.12413 162.9
[M+Na-2H]- 262.08495 156.9
[M]+ 241.10973 147.8
[M]- 241.11083 147.8
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.