CID 3259939

N-(1-benzyl-2-phenyl-ethylidene)-4-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C22H21NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H21NO2S/c1-18-12-14-22(15-13-18)26(24,25)23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKey
REFADXIHPKXIMM-UHFFFAOYSA-N
Compound name
N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.1293 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13658 187.2
[M+Na]+ 386.11852 193.3
[M-H]- 362.12202 197.7
[M+NH4]+ 381.16312 199.8
[M+K]+ 402.09246 187.2
[M+H-H2O]+ 346.12656 177.6
[M+HCOO]- 408.12750 206.0
[M+CH3COO]- 422.14315 216.3
[M+Na-2H]- 384.10397 190.7
[M]+ 363.12875 189.5
[M]- 363.12985 189.5
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