CID 3047924

Mercury, methyl(5-isopropyl-n-(p-tolyl)-o-toluenesulfonamido)-

Structural Information

Molecular Formula
C18H23HgNO2S
SMILES
CC1=CC=C(C=C1)N(S(=O)(=O)C2=C(C=CC(=C2)C(C)C)C)[Hg]C
InChI
InChI=1S/C17H20NO2S.CH3.Hg/c1-12(2)15-8-7-14(4)17(11-15)21(19,20)18-16-9-5-13(3)6-10-16;;/h5-12H,1-4H3;1H3;/q-1;;+1
InChIKey
GXYDAGKFFMQWSS-UHFFFAOYSA-N
Compound name
methyl-(4-methyl-N-(2-methyl-5-propan-2-ylphenyl)sulfonylanilino)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1156 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.12288 208.6
[M+Na]+ 542.10482 220.3
[M+NH4]+ 537.14942 215.4
[M+K]+ 558.07876 210.3
[M-H]- 518.10832 212.5
[M+Na-2H]- 540.09027 214.0
[M]+ 519.11505 211.9
[M]- 519.11615 211.9
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.