CID 43627774

4-{[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C10H8N4OS2
SMILES
C1=CSC=C1C2=NOC(=N2)CC3=CSC(=N3)N
InChI
InChI=1S/C10H8N4OS2/c11-10-12-7(5-17-10)3-8-13-9(14-15-8)6-1-2-16-4-6/h1-2,4-5H,3H2,(H2,11,12)
InChIKey
ZPXTVKJBBZPYEN-UHFFFAOYSA-N
Compound name
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02123 151.8
[M+Na]+ 287.00317 165.9
[M-H]- 263.00667 161.1
[M+NH4]+ 282.04777 170.0
[M+K]+ 302.97711 162.8
[M+H-H2O]+ 247.01121 146.5
[M+HCOO]- 309.01215 169.4
[M+CH3COO]- 323.02780 166.2
[M+Na-2H]- 284.98862 150.4
[M]+ 264.01340 157.8
[M]- 264.01450 157.8
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.