CID 10960121

160191-64-0

Structural Information

Molecular Formula
C25H30N2O2
SMILES
CCC(CC)(C1=N[C@H](CO1)CC2=CC=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4
InChI
InChI=1S/C25H30N2O2/c1-3-25(4-2,23-26-21(17-28-23)15-19-11-7-5-8-12-19)24-27-22(18-29-24)16-20-13-9-6-10-14-20/h5-14,21-22H,3-4,15-18H2,1-2H3/t21-,22-/m0/s1
InChIKey
ZIDQHNROIGAKIB-VXKWHMMOSA-N
Compound name
(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

390.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23802 196.2
[M+Na]+ 413.21996 209.7
[M+NH4]+ 408.26456 203.4
[M+K]+ 429.19390 205.8
[M-H]- 389.22346 204.8
[M+Na-2H]- 411.20541 204.4
[M]+ 390.23019 200.8
[M]- 390.23129 200.8
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