CID 987252

4-(2-(2-chlorophenyl)-4-((4-chlorophenyl)sulfonyl)oxazol-5-yl)morpholine

Structural Information

Molecular Formula
C19H16Cl2N2O4S
SMILES
C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H16Cl2N2O4S/c20-13-5-7-14(8-6-13)28(24,25)18-19(23-9-11-26-12-10-23)27-17(22-18)15-3-1-2-4-16(15)21/h1-8H,9-12H2
InChIKey
VHMXEHYOUCTCIL-UHFFFAOYSA-N
Compound name
4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

438.02078 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.02806 198.8
[M+Na]+ 461.01000 208.3
[M-H]- 437.01350 210.2
[M+NH4]+ 456.05460 206.3
[M+K]+ 476.98394 204.1
[M+H-H2O]+ 421.01804 190.4
[M+HCOO]- 483.01898 201.5
[M+CH3COO]- 497.03463 208.2
[M+Na-2H]- 458.99545 198.4
[M]+ 438.02023 204.0
[M]- 438.02133 204.0
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

No patent data available for this compound.