CID 91981371

Dtxsid20889258

Structural Information

Molecular Formula
C29H41NO2
SMILES
CC(C)C1=CC=C(C=C1)CC(C)C2N3C(CO2)COC3C(C)CC4=CC=C(C=C4)C(C)C
InChI
InChI=1S/C29H41NO2/c1-19(2)25-11-7-23(8-12-25)15-21(5)28-30-27(17-31-28)18-32-29(30)22(6)16-24-9-13-26(14-10-24)20(3)4/h7-14,19-22,27-29H,15-18H2,1-6H3
InChIKey
UQXQFPMYLLLCPE-UHFFFAOYSA-N
Compound name
3,5-bis[1-(4-propan-2-ylphenyl)propan-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

11
Patents

435.31372 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.32100 216.8
[M+Na]+ 458.30294 218.6
[M-H]- 434.30644 226.0
[M+NH4]+ 453.34754 226.4
[M+K]+ 474.27688 216.1
[M+H-H2O]+ 418.31098 208.8
[M+HCOO]- 480.31192 227.4
[M+CH3COO]- 494.32757 235.7
[M+Na-2H]- 456.28839 207.0
[M]+ 435.31317 218.0
[M]- 435.31427 218.0
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