CID 3087964

Brn 5098156

Structural Information

Molecular Formula
C13H12N4O2S
SMILES
CCOC1=CC=CC=C1C2=NN3C(=N)CC(=O)N=C3S2
InChI
InChI=1S/C13H12N4O2S/c1-2-19-9-6-4-3-5-8(9)12-16-17-10(14)7-11(18)15-13(17)20-12/h3-6,14H,2,7H2,1H3
InChIKey
NSGAHSHMJCJEFR-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07536 164.1
[M+Na]+ 311.05730 176.5
[M+NH4]+ 306.10190 171.3
[M+K]+ 327.03124 169.9
[M-H]- 287.06080 166.7
[M+Na-2H]- 309.04275 169.4
[M]+ 288.06753 166.8
[M]- 288.06863 166.8
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.