CID 3038696

Brn 4915870

Structural Information

Molecular Formula
C15H19NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@@H]4[C@H]3O4)OC)OC
InChI
InChI=1S/C15H19NO3/c1-16-5-4-8-6-10(17-2)14(18-3)13-12(8)9(16)7-11-15(13)19-11/h6,9,11,15H,4-5,7H2,1-3H3/t9-,11+,15+/m0/s1
InChIKey
JWLCFWVVSYSILG-ZVWUFJHRSA-N
Compound name
(1S,10S,12R)-7,8-dimethoxy-2-methyl-11-oxa-2-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5,7,9(14)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 158.6
[M+Na]+ 284.12572 174.0
[M+NH4]+ 279.17032 168.9
[M+K]+ 300.09966 168.3
[M-H]- 260.12922 169.3
[M+Na-2H]- 282.11117 163.5
[M]+ 261.13595 165.2
[M]- 261.13705 165.2
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.