CID 23432515

194982-72-4

Structural Information

Molecular Formula
C7H9N3O2S2
SMILES
CN(CC(=O)O)C1=CC(=S)NC(=S)N1
InChI
InChI=1S/C7H9N3O2S2/c1-10(3-6(11)12)4-2-5(13)9-7(14)8-4/h2H,3H2,1H3,(H,11,12)(H2,8,9,13,14)
InChIKey
JLTVFJKPZWSOAK-UHFFFAOYSA-N
Compound name
2-[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

231.01363 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.020906 144.0
[M+Na]+ 254.002848 152.3
[M-H]- 230.006354 142.4
[M+NH4]+ 249.047453 158.2
[M+K]+ 269.976788 145.7
[M+H-H2O]+ 214.010890 137.7
[M+HCOO]- 276.011831 152.2
[M+CH3COO]- 290.027481 185.0
[M+Na-2H]- 251.988296 144.0
[M]+ 231.01308142 142.7
[M]- 231.01417858 142.7
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

patents stripe