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 214.1
[M+Na]+ 542.10482 219.3
[M-H]- 518.10832 220.7
[M+NH4]+ 537.14942 226.9
[M+K]+ 558.07876 214.7
[M+H-H2O]+ 502.11286 204.1
[M+HCOO]- 564.11380 229.0
[M+CH3COO]- 578.12945 223.6
[M+Na-2H]- 540.09027 210.4
[M]+ 519.11505 219.0
[M]- 519.11615 219.0
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.