CID 49768048

Schembl4604803

Structural Information

Molecular Formula
C23H18N4O4S
SMILES
CC1=C(C=CC(=C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC3=CC(=CC(=C3)C#N)C#N
InChI
InChI=1S/C23H18N4O4S/c1-15-8-16(12-23(28)27-19-3-5-21(6-4-19)32(26,29)30)2-7-22(15)31-20-10-17(13-24)9-18(11-20)14-25/h2-11H,12H2,1H3,(H,27,28)(H2,26,29,30)
InChIKey
IQQGRZWLHVBDSW-UHFFFAOYSA-N
Compound name
2-[4-(3,5-dicyanophenoxy)-3-methylphenyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

446.1049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11218 225.1
[M+Na]+ 469.09412 234.2
[M-H]- 445.09762 230.5
[M+NH4]+ 464.13872 230.0
[M+K]+ 485.06806 227.9
[M+H-H2O]+ 429.10216 207.6
[M+HCOO]- 491.10310 232.3
[M+CH3COO]- 505.11875 247.3
[M+Na-2H]- 467.07957 221.2
[M]+ 446.10435 217.9
[M]- 446.10545 217.9
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