CID 3072343

141957-20-2

Structural Information

Molecular Formula
C10H15N5O2S
SMILES
CCC1=C(N=C2C(=NS(=O)(=O)N(C2=N1)CC)N)C
InChI
InChI=1S/C10H15N5O2S/c1-4-7-6(3)12-8-9(11)14-18(16,17)15(5-2)10(8)13-7/h4-5H2,1-3H3,(H2,11,14)
InChIKey
SOLKYHDELNQENI-UHFFFAOYSA-N
Compound name
1,7-diethyl-6-methyl-2,2-dioxopyrazino[2,3-c][1,2,6]thiadiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

269.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10192 158.0
[M+Na]+ 292.08386 170.6
[M-H]- 268.08736 157.9
[M+NH4]+ 287.12846 173.1
[M+K]+ 308.05780 165.8
[M+H-H2O]+ 252.09190 150.8
[M+HCOO]- 314.09284 171.3
[M+CH3COO]- 328.10849 199.5
[M+Na-2H]- 290.06931 162.3
[M]+ 269.09409 162.0
[M]- 269.09519 162.0
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