CID 495749

Nsc667487

Structural Information

Molecular Formula
C17H25NO7
SMILES
C1CCC(CC1)COC2C3C(C4C(C(C(O4)CO3)O)O)C(=O)NC2=O
InChI
InChI=1S/C17H25NO7/c19-11-9-7-24-14-10(13(25-9)12(11)20)16(21)18-17(22)15(14)23-6-8-4-2-1-3-5-8/h8-15,19-20H,1-7H2,(H,18,21,22)
InChIKey
SGIYEXIHUPTEBG-UHFFFAOYSA-N
Compound name
6-(cyclohexylmethoxy)-11,12-dihydroxy-8,13-dioxa-4-azatricyclo[8.2.1.02,7]tridecane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.16312 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17040 178.1
[M+Na]+ 378.15234 180.2
[M-H]- 354.15584 181.0
[M+NH4]+ 373.19694 188.3
[M+K]+ 394.12628 181.8
[M+H-H2O]+ 338.16038 172.6
[M+HCOO]- 400.16132 182.4
[M+CH3COO]- 414.17697 184.9
[M+Na-2H]- 376.13779 176.9
[M]+ 355.16257 170.6
[M]- 355.16367 170.6
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.