CID 1989216

442537-17-9

Structural Information

Molecular Formula
C12H10N6O2S5
SMILES
C1=CSC(=N1)NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=NC=CS3
InChI
InChI=1S/C12H10N6O2S5/c19-7(15-9-13-1-3-21-9)5-23-11-17-12(25-18-11)24-6-8(20)16-10-14-2-4-22-10/h1-4H,5-6H2,(H,13,15,19)(H,14,16,20)
InChIKey
QORZDQJGESFONX-UHFFFAOYSA-N
Compound name
2-[[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.94687 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.95415 189.1
[M+Na]+ 452.93609 201.1
[M-H]- 428.93959 193.1
[M+NH4]+ 447.98069 199.5
[M+K]+ 468.91003 191.3
[M+H-H2O]+ 412.94413 185.8
[M+HCOO]- 474.94507 189.0
[M+CH3COO]- 488.96072 196.6
[M+Na-2H]- 450.92154 189.3
[M]+ 429.94632 189.0
[M]- 429.94742 189.0
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.