CID 44148849

Tetrahydro-4-(chloromercuri)-5-methoxy-n-methyl-1,2-pyridazinedicarboximide

Structural Information

Molecular Formula
C8H13ClHgN3O3
SMILES
C[N+]12CC(C(CN1C(=O)NC2=O)[Hg]Cl)OC
InChI
InChI=1S/C8H12N3O3.ClH.Hg/c1-11-5-6(14-2)3-4-10(11)7(12)9-8(11)13;;/h3,6H,4-5H2,1-2H3;1H;/q;;+1
InChIKey
OIKUKASVKGOFFA-UHFFFAOYSA-N
Compound name
chloro-(6-methoxy-4-methyl-1,3-dioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-4-ium-7-yl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.0352 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04248 185.2
[M+Na]+ 459.02442 193.0
[M-H]- 435.02792 182.8
[M+NH4]+ 454.06902 201.5
[M+K]+ 474.99836 182.5
[M+H-H2O]+ 419.03246 180.2
[M+HCOO]- 481.03340 192.8
[M+CH3COO]- 495.04905 188.7
[M+Na-2H]- 457.00987 186.5
[M]+ 436.03465 183.0
[M]- 436.03575 183.0
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.