CID 91667978

(3-(chloromercuri)-2-methoxypropyl))urea

Structural Information

Molecular Formula
C5H11HgN2O2
SMILES
COC(CNC(=O)N)C[197Hg+]
InChI
InChI=1S/C5H11N2O2.Hg/c1-4(9-2)3-7-5(6)8;/h4H,1,3H2,2H3,(H3,6,7,8);/q;+1/i;1-4
InChIKey
IJCITOQWOMWZIG-JWFOFJTQSA-N
Compound name
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

328.04926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.056536 167.7
[M+Na]+ 351.038478 171.7
[M-H]- 327.041984 166.4
[M+NH4]+ 346.083083 185.9
[M+K]+ 367.012418 165.7
[M+H-H2O]+ 311.046520 163.2
[M+HCOO]- 373.047461 189.3
[M+CH3COO]- 387.063111 180.4
[M+Na-2H]- 349.023926 170.1
[M]+ 328.04871142 165.9
[M]- 328.04980858 165.9
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.