CID 170795

Einecs 256-406-5

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

26
Patents

408.18716 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.194436 198.8
[M+Na]+ 431.176378 203.9
[M-H]- 407.179884 210.8
[M+NH4]+ 426.220983 210.1
[M+K]+ 447.150318 200.2
[M+H-H2O]+ 391.184420 188.6
[M+HCOO]- 453.185361 216.9
[M+CH3COO]- 467.201011 235.0
[M+Na-2H]- 429.161826 199.2
[M]+ 408.18661142 203.4
[M]- 408.18770858 203.4
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