CID 165283

Dtxsid80964898

Structural Information

Molecular Formula
C25H41NO6
SMILES
CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)OC)COC
InChI
InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3
InChIKey
DBODJJZRZFZBBD-UHFFFAOYSA-N
Compound name
11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

451.2934 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.30068 206.5
[M+Na]+ 474.28262 210.3
[M-H]- 450.28612 204.8
[M+NH4]+ 469.32722 227.5
[M+K]+ 490.25656 205.2
[M+H-H2O]+ 434.29066 199.8
[M+HCOO]- 496.29160 205.9
[M+CH3COO]- 510.30725 211.8
[M+Na-2H]- 472.26807 204.7
[M]+ 451.29285 208.6
[M]- 451.29395 208.6
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