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 184.1
[M+Na]+ 417.06280 194.7
[M-H]- 393.06630 194.9
[M+NH4]+ 412.10740 194.7
[M+K]+ 433.03674 193.3
[M+H-H2O]+ 377.07084 179.3
[M+HCOO]- 439.07178 199.1
[M+CH3COO]- 453.08743 195.4
[M+Na-2H]- 415.04825 184.7
[M]+ 394.07303 191.8
[M]- 394.07413 191.8
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

patents stripe