CID 3004201

Nsc636100

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CC(C)C1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2
InChI
InChI=1S/C14H17N3O2S/c1-9(2)10-5-3-4-6-11(10)15-12(18)7-8-13-16-17-14(20)19-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,17,20)
InChIKey
DWWDYKFQMUISQW-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 167.6
[M+Na]+ 314.09338 175.2
[M-H]- 290.09688 171.6
[M+NH4]+ 309.13798 180.7
[M+K]+ 330.06732 171.1
[M+H-H2O]+ 274.10142 159.8
[M+HCOO]- 336.10236 182.6
[M+CH3COO]- 350.11801 199.3
[M+Na-2H]- 312.07883 167.2
[M]+ 291.10361 169.8
[M]- 291.10471 169.8
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.