CID 375568

Nsc655355

Structural Information

Molecular Formula
C14H15N5O5S
SMILES
C1=CC=C(C=C1)C(=O)NC2=NS(=O)(=O)C3=C(N2)N(C=N3)COCCO
InChI
InChI=1S/C14H15N5O5S/c20-6-7-24-9-19-8-15-13-11(19)16-14(18-25(13,22)23)17-12(21)10-4-2-1-3-5-10/h1-5,8,20H,6-7,9H2,(H2,16,17,18,21)
InChIKey
ZDKRBJHISVDLOX-UHFFFAOYSA-N
Compound name
N-[5-(2-hydroxyethoxymethyl)-1,1-dioxo-4H-imidazo[4,5-e][1,2,4]thiadiazin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.07938 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08666 177.4
[M+Na]+ 388.06860 186.1
[M-H]- 364.07210 177.9
[M+NH4]+ 383.11320 187.9
[M+K]+ 404.04254 181.1
[M+H-H2O]+ 348.07664 169.4
[M+HCOO]- 410.07758 189.4
[M+CH3COO]- 424.09323 206.3
[M+Na-2H]- 386.05405 181.4
[M]+ 365.07883 180.6
[M]- 365.07993 180.6
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.