CID 494037

Nsc76150

Structural Information

Molecular Formula
C25H43N3O5
SMILES
C1CCN(CC1)C2C(CCO2)OC3C(OC4C(O3)COC4N5CCCCC5)N6CCCCC6
InChI
InChI=1S/C25H43N3O5/c1-4-11-26(12-5-1)22-19(10-17-29-22)31-25-24(28-15-8-3-9-16-28)33-21-20(32-25)18-30-23(21)27-13-6-2-7-14-27/h19-25H,1-18H2
InChIKey
GEIVMATTYGLBGB-UHFFFAOYSA-N
Compound name
1-[3-[[2,7-di(piperidin-1-yl)-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]dioxin-3-yl]oxy]oxolan-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

465.32028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.32756 211.1
[M+Na]+ 488.30950 206.2
[M-H]- 464.31300 220.7
[M+NH4]+ 483.35410 211.7
[M+K]+ 504.28344 206.9
[M+H-H2O]+ 448.31754 200.0
[M+HCOO]- 510.31848 208.2
[M+CH3COO]- 524.33413 213.5
[M+Na-2H]- 486.29495 199.5
[M]+ 465.31973 197.7
[M]- 465.32083 197.7
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