CID 458050

3,3'-sulfonylbismesidine, salt with 2 f. wt. x-camphorsulfonic acid

Structural Information

Molecular Formula
C18H24N2O2S
SMILES
CC1=CC(=C(C(=C1N)C)S(=O)(=O)C2=C(C=C(C(=C2C)N)C)C)C
InChI
InChI=1S/C18H24N2O2S/c1-9-7-11(3)17(13(5)15(9)19)23(21,22)18-12(4)8-10(2)16(20)14(18)6/h7-8H,19-20H2,1-6H3
InChIKey
APDIKBHANLHTIB-UHFFFAOYSA-N
Compound name
3-(3-amino-2,4,6-trimethylphenyl)sulfonyl-2,4,6-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15585 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.163126 178.2
[M+Na]+ 355.145068 188.8
[M-H]- 331.148574 185.5
[M+NH4]+ 350.189673 193.0
[M+K]+ 371.119008 183.1
[M+H-H2O]+ 315.153110 171.1
[M+HCOO]- 377.154051 195.4
[M+CH3COO]- 391.169701 219.6
[M+Na-2H]- 353.130516 175.6
[M]+ 332.15530142 181.4
[M]- 332.15639858 181.4
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

No patent data available for this compound.