CID 94150

Cularine

Structural Information

Molecular Formula
C20H23NO4
SMILES
CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-21-8-7-12-5-6-15(22-2)20-19(12)14(21)9-13-10-17(23-3)18(24-4)11-16(13)25-20/h5-6,10-11,14H,7-9H2,1-4H3/t14-/m0/s1
InChIKey
DTMXRZMJFCVJQS-AWEZNQCLSA-N
Compound name
(10S)-5,6,17-trimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

51
Patents

341.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 179.8
[M+Na]+ 364.151938 187.7
[M-H]- 340.155444 186.1
[M+NH4]+ 359.196543 193.9
[M+K]+ 380.125878 189.2
[M+H-H2O]+ 324.159980 172.9
[M+HCOO]- 386.160921 193.9
[M+CH3COO]- 400.176571 190.2
[M+Na-2H]- 362.137386 184.8
[M]+ 341.16217142 183.1
[M]- 341.16326858 183.1
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