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

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 198.8
[M+Na]+ 431.17638 203.9
[M-H]- 407.17988 210.8
[M+NH4]+ 426.22098 210.1
[M+K]+ 447.15032 200.2
[M+H-H2O]+ 391.18442 188.6
[M+HCOO]- 453.18536 216.9
[M+CH3COO]- 467.20101 235.0
[M+Na-2H]- 429.16183 199.2
[M]+ 408.18661 203.4
[M]- 408.18771 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