CID 6102821

2,5-dichloro-n-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C20H15Cl2N3O5S
SMILES
COC1=NC=C(C=C1)C2=C3C(=CC(=C2)OC)N=C(O3)NS(=O)(=O)C4=C(C=CC(=C4)Cl)Cl
InChI
InChI=1S/C20H15Cl2N3O5S/c1-28-13-8-14(11-3-6-18(29-2)23-10-11)19-16(9-13)24-20(30-19)25-31(26,27)17-7-12(21)4-5-15(17)22/h3-10H,1-2H3,(H,24,25)
InChIKey
KOKQLKWXOFRTHE-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-[5-methoxy-7-(6-methoxypyridin-3-yl)-1,3-benzoxazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

479.01096 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.01824 207.9
[M+Na]+ 502.00018 220.7
[M-H]- 478.00368 218.2
[M+NH4]+ 497.04478 216.6
[M+K]+ 517.97412 215.7
[M+H-H2O]+ 462.00822 199.9
[M+HCOO]- 524.00916 216.0
[M+CH3COO]- 538.02481 218.2
[M+Na-2H]- 499.98563 211.1
[M]+ 479.01041 221.3
[M]- 479.01151 221.3
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