CID 170795

49630-05-9

Structural Information

Molecular Formula
C24H28N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H28N2O2S/c1-18-6-16-23(17-7-18)29(27,28)24(19-8-12-21(13-9-19)25(2)3)20-10-14-22(15-11-20)26(4)5/h6-17,24H,1-5H3
InChIKey
NXSOUJMPYKVUMX-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-(4-methylphenyl)sulfonylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

408.18716 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19444 197.6
[M+Na]+ 431.17638 211.1
[M+NH4]+ 426.22098 205.4
[M+K]+ 447.15032 202.0
[M-H]- 407.17988 205.3
[M+Na-2H]- 429.16183 208.3
[M]+ 408.18661 202.4
[M]- 408.18771 202.4
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