CID 107138

Win 20264

Structural Information

Molecular Formula
C20H29NO
SMILES
CCC12CCN(C(C1C)CC3=C2C=C(C=C3)O)CC=C(C)C
InChI
InChI=1S/C20H29NO/c1-5-20-9-11-21(10-8-14(2)3)19(15(20)4)12-16-6-7-17(22)13-18(16)20/h6-8,13,15,19,22H,5,9-12H2,1-4H3
InChIKey
GHOMLITVLACWGO-UHFFFAOYSA-N
Compound name
1-ethyl-13-methyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 176.3
[M+Na]+ 322.214118 182.1
[M-H]- 298.217624 176.3
[M+NH4]+ 317.258723 194.6
[M+K]+ 338.188058 176.4
[M+H-H2O]+ 282.222160 169.1
[M+HCOO]- 344.223101 187.0
[M+CH3COO]- 358.238751 207.8
[M+Na-2H]- 320.199566 178.2
[M]+ 299.22435142 174.0
[M]- 299.22544858 174.0
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

patents stripe