CID 168857

Benzenesulfinic acid, methyl-, bis(4-(dimethylamino)phenyl)methyl ester

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 199.8
[M+Na]+ 431.17638 203.9
[M-H]- 407.17988 211.5
[M+NH4]+ 426.22098 210.9
[M+K]+ 447.15032 200.8
[M+H-H2O]+ 391.18442 189.2
[M+HCOO]- 453.18536 218.2
[M+CH3COO]- 467.20101 236.1
[M+Na-2H]- 429.16183 198.1
[M]+ 408.18661 205.0
[M]- 408.18771 205.0
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.