CID 6480953

6-methylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate

Structural Information

Molecular Formula
C10H15N5O2S2
SMILES
CCN(CC)C(=S)SC1=NC=NC(=C1[N+](=O)[O-])NC
InChI
InChI=1S/C10H15N5O2S2/c1-4-14(5-2)10(18)19-9-7(15(16)17)8(11-3)12-6-13-9/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKey
BQXVIQDYBZQDED-UHFFFAOYSA-N
Compound name
[6-(methylamino)-5-nitropyrimidin-4-yl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.0667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07398 159.7
[M+Na]+ 324.05592 164.9
[M-H]- 300.05942 161.6
[M+NH4]+ 319.10052 171.9
[M+K]+ 340.02986 156.4
[M+H-H2O]+ 284.06396 155.5
[M+HCOO]- 346.06490 172.5
[M+CH3COO]- 360.08055 202.9
[M+Na-2H]- 322.04137 162.6
[M]+ 301.06615 159.9
[M]- 301.06725 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.