CID 375267

Nsc654784

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H16N4O3S/c1-12(23)19-15-9-7-13(8-10-15)17-21-22-18(25-17)26-11-16(24)20-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKey
SPYJIPRIWUJTSO-UHFFFAOYSA-N
Compound name
2-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 185.3
[M+Na]+ 391.08352 191.9
[M-H]- 367.08702 193.7
[M+NH4]+ 386.12812 194.9
[M+K]+ 407.05746 187.8
[M+H-H2O]+ 351.09156 175.6
[M+HCOO]- 413.09250 203.2
[M+CH3COO]- 427.10815 216.2
[M+Na-2H]- 389.06897 187.0
[M]+ 368.09375 188.7
[M]- 368.09485 188.7
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.