CID 11054778

N-demethylnarwedine

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=C2C3=C(CNCC[C@]34C=CC(=O)C[C@@H]4O2)C=C1
InChI
InChI=1S/C16H17NO3/c1-19-12-3-2-10-9-17-7-6-16-5-4-11(18)8-13(16)20-15(12)14(10)16/h2-5,13,17H,6-9H2,1H3/t13-,16-/m0/s1
InChIKey
YDTYNIAJZIKMST-BBRMVZONSA-N
Compound name
(1S,12S)-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

271.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.4
[M+Na]+ 294.11007 168.2
[M-H]- 270.11357 166.7
[M+NH4]+ 289.15467 180.0
[M+K]+ 310.08401 166.9
[M+H-H2O]+ 254.11811 155.3
[M+HCOO]- 316.11905 175.1
[M+CH3COO]- 330.13470 172.1
[M+Na-2H]- 292.09552 166.6
[M]+ 271.12030 158.2
[M]- 271.12140 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe