CID 6480960

(5-nitro-6-propoxy-pyrimidin-4-yl) n,n-dimethylcarbamodithioate

Structural Information

Molecular Formula
C10H14N4O3S2
SMILES
CCCOC1=C(C(=NC=N1)SC(=S)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O3S2/c1-4-5-17-8-7(14(15)16)9(12-6-11-8)19-10(18)13(2)3/h6H,4-5H2,1-3H3
InChIKey
LZDWKGALRNUIGB-UHFFFAOYSA-N
Compound name
(5-nitro-6-propoxypyrimidin-4-yl) N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05800 160.8
[M+Na]+ 325.03994 166.7
[M-H]- 301.04344 162.9
[M+NH4]+ 320.08454 173.3
[M+K]+ 341.01388 158.9
[M+H-H2O]+ 285.04798 156.9
[M+HCOO]- 347.04892 172.9
[M+CH3COO]- 361.06457 200.2
[M+Na-2H]- 323.02539 163.1
[M]+ 302.05017 163.1
[M]- 302.05127 163.1
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.