CID 441596

(+)-narwedine

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN1CC[C@]23C=CC(=O)C[C@H]2OC4=C(C=CC(=C34)C1)OC
InChI
InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m1/s1
InChIKey
QENVUHCAYXAROT-RHSMWYFYSA-N
Compound name
(1R,12R)-9-methoxy-4-methyl-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
1
Annotation Hits

3
References

188
Patents

285.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 162.7
[M+Na]+ 308.12572 173.4
[M+NH4]+ 303.17032 172.3
[M+K]+ 324.09966 168.2
[M-H]- 284.12922 165.9
[M+Na-2H]- 306.11117 166.2
[M]+ 285.13595 165.4
[M]- 285.13705 165.4
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