CID 160597

Anonaine

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CN[C@@H]2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
InChI
InChI=1S/C17H15NO2/c1-2-4-12-10(3-1)7-13-15-11(5-6-18-13)8-14-17(16(12)15)20-9-19-14/h1-4,8,13,18H,5-7,9H2/t13-/m1/s1
InChIKey
VZTUKBKUWSHDFM-CYBMUJFWSA-N
Compound name
(12R)-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

162
Patents

265.1103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.117576 154.1
[M+Na]+ 288.099518 161.7
[M-H]- 264.103024 158.6
[M+NH4]+ 283.144123 171.8
[M+K]+ 304.073458 157.9
[M+H-H2O]+ 248.107560 146.6
[M+HCOO]- 310.108501 165.8
[M+CH3COO]- 324.124151 165.1
[M+Na-2H]- 286.084966 161.6
[M]+ 265.10975142 152.4
[M]- 265.11084858 152.4
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.