CID 97866

Colchinol, n-acetyl-, 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

9
References

7
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

literature stripe

Patent stripe

patents stripe