CID 1528860

477329-04-7

Structural Information

Molecular Formula
C19H18FN3O2S3
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FN3O2S3/c1-2-25-16-6-4-3-5-15(16)21-17(24)12-27-19-23-22-18(28-19)26-11-13-7-9-14(20)10-8-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKey
KZXRWAZHQLLMTH-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.0545 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06178 192.1
[M+Na]+ 458.04372 200.6
[M-H]- 434.04722 197.0
[M+NH4]+ 453.08832 201.6
[M+K]+ 474.01766 191.3
[M+H-H2O]+ 418.05176 183.4
[M+HCOO]- 480.05270 198.3
[M+CH3COO]- 494.06835 200.1
[M+Na-2H]- 456.02917 190.4
[M]+ 435.05395 195.8
[M]- 435.05505 195.8
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

No patent data available for this compound.