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]+ 237.04408 149.1
[M+Na]+ 259.02602 161.4
[M-H]- 235.02952 154.2
[M+NH4]+ 254.07062 164.2
[M+K]+ 274.99996 157.3
[M+H-H2O]+ 219.03406 141.4
[M+HCOO]- 281.03500 168.2
[M+CH3COO]- 295.05065 188.4
[M+Na-2H]- 257.01147 152.5
[M]+ 236.03625 152.6
[M]- 236.03735 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

No patent data available for this compound.