CID 375518

Nsc655297

Structural Information

Molecular Formula
C20H27NO4
SMILES
C1CCC2(C3(C4=CC=CC=C4C3(C1)N5CCOCC5)O)OCCCO2
InChI
InChI=1S/C20H27NO4/c22-20-17-7-2-1-6-16(17)18(20,21-10-14-23-15-11-21)8-3-4-9-19(20)24-12-5-13-25-19/h1-2,6-7,22H,3-5,8-15H2
InChIKey
VAOWMWKFKFODLA-UHFFFAOYSA-N
Compound name
8'-morpholin-4-ylspiro[1,3-dioxane-2,13'-tricyclo[6.5.0.02,7]trideca-2,4,6-triene]-1'-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.194 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 173.8
[M+Na]+ 368.18322 176.2
[M-H]- 344.18672 182.0
[M+NH4]+ 363.22782 181.3
[M+K]+ 384.15716 179.3
[M+H-H2O]+ 328.19126 161.5
[M+HCOO]- 390.19220 179.4
[M+CH3COO]- 404.20785 181.2
[M+Na-2H]- 366.16867 180.2
[M]+ 345.19345 173.5
[M]- 345.19455 173.5
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.