CID 2347984

380451-75-2

Structural Information

Molecular Formula
C19H14N4O4S
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C19H14N4O4S/c24-17(21-11-5-6-15-16(7-11)26-10-25-15)9-28-19-23-22-18(27-19)13-8-20-14-4-2-1-3-12(13)14/h1-8,20H,9-10H2,(H,21,24)
InChIKey
AMIFDKWTZTWBRC-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.07358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08086 185.4
[M+Na]+ 417.06280 198.6
[M+NH4]+ 412.10740 192.1
[M+K]+ 433.03674 197.4
[M-H]- 393.06630 193.2
[M+Na-2H]- 415.04825 189.9
[M]+ 394.07303 189.9
[M]- 394.07413 189.9
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

patents stripe