CID 49880

N-(2-isopropoxy-3-hydroxymercuripropyl)barbital

Structural Information

Molecular Formula
C14H23HgN2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(C[Hg])OC(C)C)CC
InChI
InChI=1S/C14H23N2O4.Hg/c1-6-14(7-2)11(17)15-13(19)16(12(14)18)8-10(5)20-9(3)4;/h9-10H,5-8H2,1-4H3,(H,15,17,19);
InChIKey
JINMSCPDFWAOJB-UHFFFAOYSA-N
Compound name
[3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-2-propan-2-yloxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.14368 204.7
[M+Na]+ 508.12562 209.3
[M-H]- 484.12912 202.2
[M+NH4]+ 503.17022 216.9
[M+K]+ 524.09956 206.4
[M+H-H2O]+ 468.13366 196.8
[M+HCOO]- 530.13460 216.1
[M+CH3COO]- 544.15025 212.6
[M+Na-2H]- 506.11107 199.4
[M]+ 485.13585 206.2
[M]- 485.13695 206.2
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.