CID 367746

Nsc637685

Structural Information

Molecular Formula
C14H17N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)SC
InChI
InChI=1S/C14H17N3O3S/c1-3-19-11-6-4-10(5-7-11)15-12(18)8-9-13-16-17-14(20-13)21-2/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKey
VFWXRRNAFNNHSF-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.09906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10634 170.1
[M+Na]+ 330.08828 178.0
[M-H]- 306.09178 175.3
[M+NH4]+ 325.13288 183.2
[M+K]+ 346.06222 175.4
[M+H-H2O]+ 290.09632 161.7
[M+HCOO]- 352.09726 187.7
[M+CH3COO]- 366.11291 203.6
[M+Na-2H]- 328.07373 171.4
[M]+ 307.09851 176.7
[M]- 307.09961 176.7
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.