CID 1609661

477331-39-8

Structural Information

Molecular Formula
C18H15N3O3S3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)SCC4=CC=CC=C4
InChI
InChI=1S/C18H15N3O3S3/c22-16(19-13-6-7-14-15(8-13)24-11-23-14)10-26-18-21-20-17(27-18)25-9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)
InChIKey
PABUBUVVTXJDEU-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-yl)-2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.02756 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.03484 183.8
[M+Na]+ 440.01678 195.2
[M+NH4]+ 435.06138 191.7
[M+K]+ 455.99072 187.2
[M-H]- 416.02028 191.3
[M+Na-2H]- 438.00223 189.0
[M]+ 417.02701 188.9
[M]- 417.02811 188.9
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.