CID 366518

Nsc635127

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCC1=CC=CC(=C1NC(=O)CCC2=NN=C(O2)SC)C
InChI
InChI=1S/C15H19N3O2S/c1-4-11-7-5-6-10(2)14(11)16-12(19)8-9-13-17-18-15(20-13)21-3/h5-7H,4,8-9H2,1-3H3,(H,16,19)
InChIKey
ORDCFYRUBSQPSH-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 171.9
[M+Na]+ 328.10902 180.5
[M-H]- 304.11252 177.4
[M+NH4]+ 323.15362 185.6
[M+K]+ 344.08296 177.1
[M+H-H2O]+ 288.11706 163.7
[M+HCOO]- 350.11800 189.0
[M+CH3COO]- 364.13365 205.7
[M+Na-2H]- 326.09447 171.8
[M]+ 305.11925 177.9
[M]- 305.12035 177.9
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.