CID 6102822

N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide

Structural Information

Molecular Formula
C20H15Cl2N3O4S
SMILES
COC1=CC(=C2C(=C1)N=C(O2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl)C4=CC(=CC=C4)N
InChI
InChI=1S/C20H15Cl2N3O4S/c1-28-14-9-15(11-3-2-4-13(23)7-11)19-17(10-14)24-20(29-19)25-30(26,27)18-8-12(21)5-6-16(18)22/h2-10H,23H2,1H3,(H,24,25)
InChIKey
GAYYMURZGLJDCT-UHFFFAOYSA-N
Compound name
N-[7-(3-aminophenyl)-5-methoxy-1,3-benzoxazol-2-yl]-2,5-dichlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

463.01602 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.02330 206.5
[M+Na]+ 486.00524 218.9
[M-H]- 462.00874 217.4
[M+NH4]+ 481.04984 216.7
[M+K]+ 501.97918 212.8
[M+H-H2O]+ 446.01328 199.4
[M+HCOO]- 508.01422 216.1
[M+CH3COO]- 522.02987 216.8
[M+Na-2H]- 483.99069 209.4
[M]+ 463.01547 216.9
[M]- 463.01657 216.9
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