CID 474508

4-methoxy-2-(6-methoxy-1h-benzimidazole-2-sulfonylmethyl)-3,5-dimethyl-phenylamine

Structural Information

Molecular Formula
C18H21N3O4S
SMILES
CC1=CC(=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)N
InChI
InChI=1S/C18H21N3O4S/c1-10-7-14(19)13(11(2)17(10)25-4)9-26(22,23)18-20-15-6-5-12(24-3)8-16(15)21-18/h5-8H,9,19H2,1-4H3,(H,20,21)
InChIKey
XETJPBJLCYGUJR-UHFFFAOYSA-N
Compound name
4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.12527 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.13255 188.9
[M+Na]+ 398.11449 200.3
[M-H]- 374.11799 194.0
[M+NH4]+ 393.15909 201.4
[M+K]+ 414.08843 194.5
[M+H-H2O]+ 358.12253 181.6
[M+HCOO]- 420.12347 204.5
[M+CH3COO]- 434.13912 217.0
[M+Na-2H]- 396.09994 190.0
[M]+ 375.12472 196.3
[M]- 375.12582 196.3
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

No patent data available for this compound.