CID 6480954

[6-(methoxyamino)-5-nitro-pyrimidin-4-yl] n,n-diethylcarbamodithioate

Structural Information

Molecular Formula
C10H15N5O3S2
SMILES
CCN(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])NOC
InChI
InChI=1S/C10H15N5O3S2/c1-4-14(5-2)10(19)20-9-7(15(16)17)8(13-18-3)11-6-12-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKey
SXDRNFCXNWGSBW-UHFFFAOYSA-N
Compound name
[6-(methoxyamino)-5-nitropyrimidin-4-yl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.06165 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06893 163.0
[M+Na]+ 340.05087 167.8
[M-H]- 316.05437 164.7
[M+NH4]+ 335.09547 174.4
[M+K]+ 356.02481 159.8
[M+H-H2O]+ 300.05891 158.6
[M+HCOO]- 362.05985 175.9
[M+CH3COO]- 376.07550 205.0
[M+Na-2H]- 338.03632 166.3
[M]+ 317.06110 164.4
[M]- 317.06220 164.4
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.