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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	262.143776	165.0
[M+Na]+	284.125718	175.6
[M-H]-	260.129224	170.2
[M+NH4]+	279.170323	178.2
[M+K]+	300.099658	172.4
[M+H-H2O]+	244.133760	156.9
[M+HCOO]-	306.134701	178.9
[M+CH3COO]-	320.150351	176.2
[M+Na-2H]-	282.111166	170.8
[M]+	261.13595142	171.2
[M]-	261.13704858	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.