CID 35397514

Of-1

Structural Information

Molecular Formula
C17H18BrN3O4S
SMILES
CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C
InChI
InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3
InChIKey
YUNQZQREIHWDQT-UHFFFAOYSA-N
Compound name
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

439.02014 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.02742 183.7
[M+Na]+ 462.00936 199.3
[M-H]- 438.01286 193.4
[M+NH4]+ 457.05396 198.8
[M+K]+ 477.98330 186.5
[M+H-H2O]+ 422.01740 182.6
[M+HCOO]- 484.01834 199.8
[M+CH3COO]- 498.03399 224.7
[M+Na-2H]- 459.99481 187.8
[M]+ 439.01959 211.1
[M]- 439.02069 211.1
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