CID 97866

N-acetylcolchinol o-methyl ether

Structural Information

Molecular Formula
C21H25NO5
SMILES
CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)
InChIKey
FEPNCXXZWLXIHV-UHFFFAOYSA-N
Compound name
N-(5,13,14,15-tetramethoxy-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

7
References

4
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 185.0
[M+Na]+ 394.16250 191.5
[M-H]- 370.16600 191.9
[M+NH4]+ 389.20710 199.0
[M+K]+ 410.13644 194.6
[M+H-H2O]+ 354.17054 179.0
[M+HCOO]- 416.17148 204.1
[M+CH3COO]- 430.18713 224.1
[M+Na-2H]- 392.14795 187.4
[M]+ 371.17273 189.2
[M]- 371.17383 189.2
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.