CID 49768096

Schembl4605031

Structural Information

Molecular Formula
C24H23N3O5S
SMILES
CC1=C(C=CC(=C1)C#N)OC2=C(C=C(C=C2)CC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)C)OC
InChI
InChI=1S/C24H23N3O5S/c1-15-11-19(33(26,29)30)6-7-20(15)27-24(28)13-17-4-9-22(23(12-17)31-3)32-21-8-5-18(14-25)10-16(21)2/h4-12H,13H2,1-3H3,(H,27,28)(H2,26,29,30)
InChIKey
CFIMPHCJHSUFFA-UHFFFAOYSA-N
Compound name
2-[4-(4-cyano-2-methylphenoxy)-3-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

465.13583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.143106 224.4
[M+Na]+ 488.125048 233.0
[M-H]- 464.128554 231.8
[M+NH4]+ 483.169653 230.8
[M+K]+ 504.098988 227.3
[M+H-H2O]+ 448.133090 208.2
[M+HCOO]- 510.134031 237.5
[M+CH3COO]- 524.149681 244.8
[M+Na-2H]- 486.110496 222.1
[M]+ 465.13528142 223.5
[M]- 465.13637858 223.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe