CID 1544134

477313-74-9

Structural Information

Molecular Formula
C18H16BrN3O2S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C18H16BrN3O2S3/c1-24-15-7-5-12(6-8-15)10-25-17-21-22-18(27-17)26-11-16(23)20-14-4-2-3-13(19)9-14/h2-9H,10-11H2,1H3,(H,20,23)
InChIKey
SQJMPTZTFBDZCL-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-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

480.9588 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.96608 165.1
[M+Na]+ 503.94802 168.4
[M+NH4]+ 498.99262 169.6
[M+K]+ 519.92196 165.3
[M-H]- 479.95152 168.7
[M+Na-2H]- 501.93347 170.8
[M]+ 480.95825 166.6
[M]- 480.95935 166.6
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.