CID 458956

Alpha-benzoyl-alpha-(5-diethylamino-o-tolylimino)-p-(methylphenylsulfamyl)acetanilide

Structural Information

Molecular Formula
C33H34N4O4S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=C(C(=O)C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C4=CC=CC=C4)C
InChI
InChI=1S/C33H34N4O4S/c1-5-37(6-2)28-19-22-30(24(3)23-28)35-31(32(38)25-13-9-7-10-14-25)33(39)34-26-17-20-29(21-18-26)42(40,41)36(4)27-15-11-8-12-16-27/h7-23H,5-6H2,1-4H3,(H,34,39)
InChIKey
XDGCQMYNZGQNBQ-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)-2-methylphenyl]imino-N-[4-[methyl(phenyl)sulfamoyl]phenyl]-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.2301 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.23738 241.7
[M+Na]+ 605.21932 241.7
[M-H]- 581.22282 255.9
[M+NH4]+ 600.26392 244.0
[M+K]+ 621.19326 238.8
[M+H-H2O]+ 565.22736 228.4
[M+HCOO]- 627.22830 259.8
[M+CH3COO]- 641.24395 271.4
[M+Na-2H]- 603.20477 241.5
[M]+ 582.22955 245.9
[M]- 582.23065 245.9
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

No patent data available for this compound.