CID 45258664

15a-methoxy-14,15-dihydronorsecurine

Structural Information

Molecular Formula
C13H17NO3
SMILES
CO[C@H]1CC2=CC(=O)O[C@@]23C[C@@H]1N4[C@@H]3CCC4
InChI
InChI=1S/C13H17NO3/c1-16-10-5-8-6-12(15)17-13(8)7-9(10)14-4-2-3-11(13)14/h6,9-11H,2-5,7H2,1H3/t9-,10-,11+,13-/m0/s1
InChIKey
WVMWAKXGCJZROF-KQXIARHKSA-N
Compound name
(1S,7S,8S,13R)-7-methoxy-2-oxa-9-azatetracyclo[6.5.1.01,5.09,13]tetradec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 151.8
[M+Na]+ 258.11007 160.0
[M-H]- 234.11357 156.6
[M+NH4]+ 253.15467 177.4
[M+K]+ 274.08401 158.0
[M+H-H2O]+ 218.11811 147.8
[M+HCOO]- 280.11905 168.0
[M+CH3COO]- 294.13470 164.5
[M+Na-2H]- 256.09552 153.7
[M]+ 235.12030 152.6
[M]- 235.12140 152.6
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.