CID 1991588

477313-72-7

Structural Information

Molecular Formula
C19H17N5O2S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C19H17N5O2S3/c1-26-15-6-2-12(3-7-15)10-27-18-23-24-19(29-18)28-11-17(25)21-14-5-4-13-9-20-22-16(13)8-14/h2-9H,10-11H2,1H3,(H,20,22)(H,21,25)
InChIKey
VKINBCAHZGEABP-UHFFFAOYSA-N
Compound name
N-(1H-indazol-6-yl)-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.05444 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.06172 189.9
[M+Na]+ 466.04366 201.9
[M+NH4]+ 461.08826 196.6
[M+K]+ 482.01760 193.3
[M-H]- 442.04716 194.1
[M+Na-2H]- 464.02911 196.3
[M]+ 443.05389 194.0
[M]- 443.05499 194.0
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.