CID 168007643

Chebi:194521

Structural Information

Molecular Formula
C20H22NO4
SMILES
C[N@@+]12CCC3=CC4=C(C=C3[C@@H]1CC5=C(C2)C(=C(C=C5)O)OC)OCO4
InChI
InChI=1S/C20H21NO4/c1-21-6-5-13-8-18-19(25-11-24-18)9-14(13)16(21)7-12-3-4-17(22)20(23-2)15(12)10-21/h3-4,8-9,16H,5-7,10-11H2,1-2H3/p+1/t16-,21-/m0/s1
InChIKey
UTUGYZCGZXJEHE-KKSFZXQISA-O
Compound name
(1S,13S)-16-methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15488 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16216 177.3
[M+Na]+ 363.14410 193.3
[M+NH4]+ 358.18870 189.4
[M+K]+ 379.11804 186.4
[M-H]- 339.14760 184.9
[M+Na-2H]- 361.12955 180.7
[M]+ 340.15433 182.4
[M]- 340.15543 182.4
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.