CID 10960121

(4s,4's)-2,2'-(pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)

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

14
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 200.7
[M-H]- 389.22346 206.9
[M+NH4]+ 408.26456 205.0
[M+K]+ 429.19390 197.4
[M+H-H2O]+ 373.22800 186.5
[M+HCOO]- 435.22894 212.4
[M+CH3COO]- 449.24459 205.3
[M+Na-2H]- 411.20541 195.6
[M]+ 390.23019 197.8
[M]- 390.23129 197.8
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