CID 981066

Chemdiv1_028242

Structural Information

Molecular Formula
C23H20N2O3S
SMILES
C1=CC=C(C=C1)CC2=NC(=C(O2)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H20N2O3S/c26-29(27,20-14-8-3-9-15-20)23-22(24-17-19-12-6-2-7-13-19)28-21(25-23)16-18-10-4-1-5-11-18/h1-15,24H,16-17H2
InChIKey
VUEGLEFNYCFRDP-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)-N,2-dibenzyl-1,3-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11948 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12676 194.4
[M+Na]+ 427.10870 209.7
[M+NH4]+ 422.15330 201.9
[M+K]+ 443.08264 201.2
[M-H]- 403.11220 203.4
[M+Na-2H]- 425.09415 206.1
[M]+ 404.11893 199.8
[M]- 404.12003 199.8
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

No patent data available for this compound.