CID 1584793

313551-99-4

Structural Information

Molecular Formula
C24H22N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)CC3=CC=CC=C3)NCC4=CC=CC=C4
InChI
InChI=1S/C24H22N2O3S/c1-18-12-14-21(15-13-18)30(27,28)24-23(25-17-20-10-6-3-7-11-20)29-22(26-24)16-19-8-4-2-5-9-19/h2-15,25H,16-17H2,1H3
InChIKey
KCZQVVRJWJJZLP-UHFFFAOYSA-N
Compound name
N,2-dibenzyl-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1351 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14238 200.8
[M+Na]+ 441.12432 208.7
[M-H]- 417.12782 213.4
[M+NH4]+ 436.16892 209.8
[M+K]+ 457.09826 203.0
[M+H-H2O]+ 401.13236 191.1
[M+HCOO]- 463.13330 218.7
[M+CH3COO]- 477.14895 210.7
[M+Na-2H]- 439.10977 203.1
[M]+ 418.13455 204.8
[M]- 418.13565 204.8
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.