CID 3053007

Ethanone, 2-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-1-(4-hydroxyphenyl)-

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CCCCC1=NN=C(S1)NCC(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C14H17N3O2S/c1-2-3-4-13-16-17-14(20-13)15-9-12(19)10-5-7-11(18)8-6-10/h5-8,18H,2-4,9H2,1H3,(H,15,17)
InChIKey
FBCRAUZDZFHYMI-UHFFFAOYSA-N
Compound name
2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-1-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 167.0
[M+Na]+ 314.09338 177.5
[M+NH4]+ 309.13798 173.5
[M+K]+ 330.06732 171.5
[M-H]- 290.09688 169.0
[M+Na-2H]- 312.07883 172.4
[M]+ 291.10361 169.3
[M]- 291.10471 169.3
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.