CID 15961687

1,2,5-thiadiazole-3,4-diamine, n-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, 1-oxide, (e)-

Structural Information

Molecular Formula
C17H24N6O2S
SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC3=NS(=O)N=C3N
InChI
InChI=1S/C17H24N6O2S/c18-16-17(22-26(24)21-16)20-7-2-5-11-25-15-12-14(6-8-19-15)13-23-9-3-1-4-10-23/h2,5-6,8,12H,1,3-4,7,9-11,13H2,(H2,18,21)(H,20,22)/b5-2+
InChIKey
FREFVQDHTGTCTB-GORDUTHDSA-N
Compound name
1-oxo-3-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]-1,2,5-thiadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16815 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17543 186.0
[M+Na]+ 399.15737 191.6
[M-H]- 375.16087 189.6
[M+NH4]+ 394.20197 194.0
[M+K]+ 415.13131 185.0
[M+H-H2O]+ 359.16541 175.2
[M+HCOO]- 421.16635 199.5
[M+CH3COO]- 435.18200 193.7
[M+Na-2H]- 397.14282 185.3
[M]+ 376.16760 184.6
[M]- 376.16870 184.6
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.