CID 11384701

862605-48-9

Structural Information

Molecular Formula
C25H33N3O3
SMILES
CC(C)[C@H]1COC(=N1)C(C)(CC2=N[C@@H]3[C@H](O2)CC4=CC=CC=C34)C5=N[C@H](CO5)C(C)C
InChI
InChI=1S/C25H33N3O3/c1-14(2)18-12-29-23(26-18)25(5,24-27-19(13-30-24)15(3)4)11-21-28-22-17-9-7-6-8-16(17)10-20(22)31-21/h6-9,14-15,18-20,22H,10-13H2,1-5H3/t18-,19-,20-,22+/m1/s1
InChIKey
KUEHNHRINDVDDG-VMBXEPDQSA-N
Compound name
(3aR,8bS)-2-[2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 197.0
[M+Na]+ 446.24142 206.4
[M+NH4]+ 441.28602 203.3
[M+K]+ 462.21536 210.7
[M-H]- 422.24492 203.2
[M+Na-2H]- 444.22687 197.7
[M]+ 423.25165 200.1
[M]- 423.25275 200.1
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

No patent data available for this compound.