CID 3034553

74039-18-2

Structural Information

Molecular Formula
C6H6N2O2S2
SMILES
CC1=C(NC(=S)NC1=S)C(=O)O
InChI
InChI=1S/C6H6N2O2S2/c1-2-3(5(9)10)7-6(12)8-4(2)11/h1H3,(H,9,10)(H2,7,8,11,12)
InChIKey
FLVVZBPMZIICFJ-UHFFFAOYSA-N
Compound name
5-methyl-2,4-bis(sulfanylidene)-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.98708 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99436 135.9
[M+Na]+ 224.97630 146.2
[M-H]- 200.97980 133.5
[M+NH4]+ 220.02090 151.3
[M+K]+ 240.95024 138.7
[M+H-H2O]+ 184.98434 130.7
[M+HCOO]- 246.98528 143.1
[M+CH3COO]- 261.00093 175.0
[M+Na-2H]- 222.96175 135.4
[M]+ 201.98653 134.2
[M]- 201.98763 134.2
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.