CID 15961694

1,2,5-thiadiazole-3,4-diamine, n-(4-((4-((dimethylamino)methyl)-2-pyridinyl)oxy)-2-butenyl)-,1-oxide, (z)-

Structural Information

Molecular Formula
C14H20N6O2S
SMILES
CN(C)CC1=CC(=NC=C1)OC/C=C\CNC2=NS(=O)N=C2N
InChI
InChI=1S/C14H20N6O2S/c1-20(2)10-11-5-7-16-12(9-11)22-8-4-3-6-17-14-13(15)18-23(21)19-14/h3-5,7,9H,6,8,10H2,1-2H3,(H2,15,18)(H,17,19)/b4-3-
InChIKey
SAMIQTGHBCEWFY-ARJAWSKDSA-N
Compound name
3-N-[(Z)-4-[4-[(dimethylamino)methyl]pyridin-2-yl]oxybut-2-enyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13684 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14412 176.4
[M+Na]+ 359.12606 184.0
[M-H]- 335.12956 180.8
[M+NH4]+ 354.17066 188.2
[M+K]+ 375.10000 179.5
[M+H-H2O]+ 319.13410 166.5
[M+HCOO]- 381.13504 196.2
[M+CH3COO]- 395.15069 216.2
[M+Na-2H]- 357.11151 177.4
[M]+ 336.13629 180.5
[M]- 336.13739 180.5
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.