CID 177845729

Dtxsid401387079

Structural Information

Molecular Formula
C26H43NO2
SMILES
CC1=CCC(CC1)C(C)CC2N3C(OCC3(CO2)C)CC(C)C4CCC(=CC4)C
InChI
InChI=1S/C26H43NO2/c1-18-6-10-22(11-7-18)20(3)14-24-27-25(29-17-26(27,5)16-28-24)15-21(4)23-12-8-19(2)9-13-23/h6,8,20-25H,7,9-17H2,1-5H3
InChIKey
AEAPRBMDESMRIM-UHFFFAOYSA-N
Compound name
7a-methyl-3,5-bis[2-(4-methylcyclohex-3-en-1-yl)propyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.32938 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.33666 206.4
[M+Na]+ 424.31860 207.3
[M-H]- 400.32210 214.5
[M+NH4]+ 419.36320 219.4
[M+K]+ 440.29254 205.0
[M+H-H2O]+ 384.32664 199.0
[M+HCOO]- 446.32758 214.3
[M+CH3COO]- 460.34323 226.4
[M+Na-2H]- 422.30405 197.8
[M]+ 401.32883 202.3
[M]- 401.32993 202.3
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.