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]+ 333.16313 178.2
[M+Na]+ 355.14507 188.8
[M-H]- 331.14857 185.5
[M+NH4]+ 350.18967 193.0
[M+K]+ 371.11901 183.1
[M+H-H2O]+ 315.15311 171.1
[M+HCOO]- 377.15405 195.4
[M+CH3COO]- 391.16970 219.6
[M+Na-2H]- 353.13052 175.6
[M]+ 332.15530 181.4
[M]- 332.15640 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.