CID 10981320

(+)-2,2'-isopropylidenebis[(4r)-4-benzyl-2-oxazoline]

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CC(C)(C1=N[C@@H](CO1)CC2=CC=CC=C2)C3=N[C@@H](CO3)CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c1-23(2,21-24-19(15-26-21)13-17-9-5-3-6-10-17)22-25-20(16-27-22)14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
InChIKey
GAKCKAKYRQUVRK-WOJBJXKFSA-N
Compound name
(4R)-4-benzyl-2-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

362.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 187.3
[M+Na]+ 385.18865 192.6
[M-H]- 361.19215 198.3
[M+NH4]+ 380.23325 197.2
[M+K]+ 401.16259 189.8
[M+H-H2O]+ 345.19669 178.0
[M+HCOO]- 407.19763 204.2
[M+CH3COO]- 421.21328 197.2
[M+Na-2H]- 383.17410 187.7
[M]+ 362.19888 188.2
[M]- 362.19998 188.2
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

patents stripe