CID 1201441

1004-40-6

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1=C(NC(=S)NC1=O)N
InChI
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)
InChIKey
YFYYRKDBDBILSD-UHFFFAOYSA-N
Compound name
6-amino-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1414
Patents

143.01534 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02262 124.3
[M+Na]+ 166.00456 134.8
[M-H]- 142.00806 123.1
[M+NH4]+ 161.04916 142.2
[M+K]+ 181.97850 129.4
[M+H-H2O]+ 126.01260 118.5
[M+HCOO]- 188.01354 140.4
[M+CH3COO]- 202.02919 167.3
[M+Na-2H]- 163.99001 128.4
[M]+ 143.01479 120.8
[M]- 143.01589 120.8
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

patents stripe