CID 736684

132098-59-0

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1[C@@H](N=C(O1)CC2=N[C@H](CO2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N2O2/c1-3-7-14(8-4-1)16-12-22-18(20-16)11-19-21-17(13-23-19)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m1/s1
InChIKey
IUFHJPXOLHSJTC-IAGOWNOFSA-N
Compound name
(4S)-4-phenyl-2-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

306.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 169.3
[M+Na]+ 329.12606 176.1
[M-H]- 305.12956 180.7
[M+NH4]+ 324.17066 181.4
[M+K]+ 345.10000 173.6
[M+H-H2O]+ 289.13410 160.0
[M+HCOO]- 351.13504 189.2
[M+CH3COO]- 365.15069 180.8
[M+Na-2H]- 327.11151 170.8
[M]+ 306.13629 169.5
[M]- 306.13739 169.5
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