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 165.0
[M+Na]+ 284.12572 175.6
[M-H]- 260.12922 170.2
[M+NH4]+ 279.17032 178.2
[M+K]+ 300.09966 172.4
[M+H-H2O]+ 244.13376 156.9
[M+HCOO]- 306.13470 178.9
[M+CH3COO]- 320.15035 176.2
[M+Na-2H]- 282.11117 170.8
[M]+ 261.13595 171.2
[M]- 261.13705 171.2
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.