CID 16092139

Bvt-74316

Structural Information

Molecular Formula
C21H24N2O5S
SMILES
CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC(=C3C(=C2)C=CO3)OC4CCNCC4
InChI
InChI=1S/C21H24N2O5S/c1-14-3-4-19(26-2)18(11-14)23-29(24,25)17-12-15-7-10-27-21(15)20(13-17)28-16-5-8-22-9-6-16/h3-4,7,10-13,16,22-23H,5-6,8-9H2,1-2H3
InChIKey
UPQJYTNALAIZCC-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-7-piperidin-4-yloxy-1-benzofuran-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

416.1406 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14788 195.0
[M+Na]+ 439.12982 201.9
[M-H]- 415.13332 203.8
[M+NH4]+ 434.17442 204.8
[M+K]+ 455.10376 198.0
[M+H-H2O]+ 399.13786 187.0
[M+HCOO]- 461.13880 208.4
[M+CH3COO]- 475.15445 220.8
[M+Na-2H]- 437.11527 197.9
[M]+ 416.14005 198.5
[M]- 416.14115 198.5
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