CID 102601209

Dapma

Structural Information

Molecular Formula
C20H20HgN2O4S
SMILES
CC(=O)O[Hg]C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C18H17N2O2S.C2H4O2.Hg/c1-20(2)17-12-6-11-16-15(17)10-7-13-18(16)23(21,22)19-14-8-4-3-5-9-14;1-2(3)4;/h4-13,19H,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
SCMNCGCPEIIYQD-UHFFFAOYSA-M
Compound name
acetyloxy-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

586.085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.09228 227.7
[M+Na]+ 609.07422 232.0
[M-H]- 585.07772 234.5
[M+NH4]+ 604.11882 237.6
[M+K]+ 625.04816 227.6
[M+H-H2O]+ 569.08226 216.7
[M+HCOO]- 631.08320 243.1
[M+CH3COO]- 645.09885 235.1
[M+Na-2H]- 607.05967 228.0
[M]+ 586.08445 233.2
[M]- 586.08555 233.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe