CID 168857

29061-52-7

Structural Information

Molecular Formula
C24H28N2O2S
SMILES
CC1=CC=CC=C1S(=O)OC(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H28N2O2S/c1-18-8-6-7-9-23(18)29(27)28-24(19-10-14-21(15-11-19)25(2)3)20-12-16-22(17-13-20)26(4)5/h6-17,24H,1-5H3
InChIKey
KDHYJULAYMXQIW-UHFFFAOYSA-N
Compound name
bis[4-(dimethylamino)phenyl]methyl 2-methylbenzenesulfinate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18716 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19444 197.0
[M+Na]+ 431.17638 210.4
[M+NH4]+ 426.22098 205.1
[M+K]+ 447.15032 201.0
[M-H]- 407.17988 205.3
[M+Na-2H]- 429.16183 207.5
[M]+ 408.18661 201.9
[M]- 408.18771 201.9
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.