CID 72379

Galanthan-1,2,10-triol, 3,12-didehydro-9-methoxy-, (1-.alpha.,2-.beta.)-

Structural Information

Molecular Formula
C17H21NO4
SMILES
COC1=C(C=C2[C@H]3[C@H]([C@@H](C=C4[C@@H]3N(CC4)CC2=C1)O)O)OC
InChI
InChI=1S/C17H21NO4/c1-21-13-6-10-8-18-4-3-9-5-12(19)17(20)15(16(9)18)11(10)7-14(13)22-2/h5-7,12,15-17,19-20H,3-4,8H2,1-2H3/t12-,15-,16+,17+/m1/s1
InChIKey
SAQBCDZRDUPHCG-VZEFYGNVSA-N
Compound name
(1R,14R,15R,16R)-4,5-dimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-14,15-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.14706 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15434 169.6
[M+Na]+ 326.13628 177.2
[M-H]- 302.13978 171.1
[M+NH4]+ 321.18088 187.6
[M+K]+ 342.11022 172.9
[M+H-H2O]+ 286.14432 163.2
[M+HCOO]- 348.14526 181.9
[M+CH3COO]- 362.16091 179.7
[M+Na-2H]- 324.12173 171.6
[M]+ 303.14651 170.4
[M]- 303.14761 170.4
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

No patent data available for this compound.