CID 211119

22324-16-9

Structural Information

Molecular Formula
C21H25NO5
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
InChI
InChI=1S/C21H25NO5/c1-22-8-7-12-10-14(25-2)19(23)18-16(12)13(22)6-5-11-9-15(26-3)20(24)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1
InChIKey
JCWDQBQBVNMMNK-ZDUSSCGKSA-N
Compound name
(10S)-3,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-4,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17328 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 188.9
[M+Na]+ 394.16250 196.5
[M-H]- 370.16600 192.5
[M+NH4]+ 389.20710 202.1
[M+K]+ 410.13644 197.3
[M+H-H2O]+ 354.17054 182.7
[M+HCOO]- 416.17148 200.6
[M+CH3COO]- 430.18713 220.3
[M+Na-2H]- 392.14795 191.0
[M]+ 371.17273 190.8
[M]- 371.17383 190.8
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.