CID 5342477

(e)-4-((furan-2-ylmethylene)amino)-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2h)-one

Structural Information

Molecular Formula
C9H8N4O2S
SMILES
CC1=NNC(=S)N(C1=O)/N=C/C2=CC=CO2
InChI
InChI=1S/C9H8N4O2S/c1-6-8(14)13(9(16)12-11-6)10-5-7-3-2-4-15-7/h2-5H,1H3,(H,12,16)/b10-5+
InChIKey
JCIODXDOCJZABZ-BJMVGYQFSA-N
Compound name
4-[(E)-furan-2-ylmethylideneamino]-6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

236.0368 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.044076 149.1
[M+Na]+ 259.026018 161.4
[M-H]- 235.029524 154.2
[M+NH4]+ 254.070623 164.2
[M+K]+ 274.999958 157.3
[M+H-H2O]+ 219.034060 141.4
[M+HCOO]- 281.035001 168.2
[M+CH3COO]- 295.050651 188.4
[M+Na-2H]- 257.011466 152.5
[M]+ 236.03625142 152.6
[M]- 236.03734858 152.6
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