CID 92036901

Dtxsid60889257

Structural Information

Molecular Formula
C27H53NO2
SMILES
CCCCCCCCCC(C)C1N2C(CO1)COC2C(C)CCCCCCCCC
InChI
InChI=1S/C27H53NO2/c1-5-7-9-11-13-15-17-19-23(3)26-28-25(21-29-26)22-30-27(28)24(4)20-18-16-14-12-10-8-6-2/h23-27H,5-22H2,1-4H3
InChIKey
JKQNTCAIUSLSND-UHFFFAOYSA-N
Compound name
3,5-di(undecan-2-yl)-3,5,7,7a-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

423.40762 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.41490 224.4
[M+Na]+ 446.39684 223.4
[M-H]- 422.40034 225.0
[M+NH4]+ 441.44144 235.1
[M+K]+ 462.37078 220.8
[M+H-H2O]+ 406.40488 216.7
[M+HCOO]- 468.40582 234.7
[M+CH3COO]- 482.42147 234.0
[M+Na-2H]- 444.38229 215.6
[M]+ 423.40707 230.3
[M]- 423.40817 230.3
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

patents stripe