CID 23934560

Oprea1_809595

Structural Information

Molecular Formula
C20H23NO5
SMILES
CC(=O)N[C@@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC
InChI
InChI=1S/C20H23NO5/c1-11(22)21-16-8-5-12-9-17(24-2)19(25-3)20(26-4)18(12)14-7-6-13(23)10-15(14)16/h6-7,9-10,16,23H,5,8H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKey
WJJZQSCOTJYYSP-MRXNPFEDSA-N
Compound name
N-[(8R)-5-hydroxy-13,14,15-trimethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16490 180.8
[M+Na]+ 380.14684 187.3
[M-H]- 356.15034 186.7
[M+NH4]+ 375.19144 194.8
[M+K]+ 396.12078 190.0
[M+H-H2O]+ 340.15488 175.4
[M+HCOO]- 402.15582 198.9
[M+CH3COO]- 416.17147 219.2
[M+Na-2H]- 378.13229 183.4
[M]+ 357.15707 183.1
[M]- 357.15817 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

No patent data available for this compound.