CID 367614

Nsc637446

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C(O2)SC
InChI
InChI=1S/C14H17N3O2S/c1-9-5-4-6-10(2)13(9)15-11(18)7-8-12-16-17-14(19-12)20-3/h4-6H,7-8H2,1-3H3,(H,15,18)
InChIKey
PQIMOGWVWLUGTR-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 167.5
[M+Na]+ 314.09338 176.5
[M-H]- 290.09688 173.2
[M+NH4]+ 309.13798 181.7
[M+K]+ 330.06732 173.4
[M+H-H2O]+ 274.10142 159.5
[M+HCOO]- 336.10236 184.9
[M+CH3COO]- 350.11801 202.7
[M+Na-2H]- 312.07883 167.8
[M]+ 291.10361 173.2
[M]- 291.10471 173.2
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.