CID 509895

Schembl7483547

Structural Information

Molecular Formula
C17H14F2N4OS2
SMILES
C1=CC=C(C=C1)SCCNC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C17H14F2N4OS2/c18-11-6-7-13(14(19)10-11)15(24)21-17-23-22-16(26-17)20-8-9-25-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,20,22)(H,21,23,24)
InChIKey
OEKMQANAXWUFOU-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

392.0577 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06498 181.1
[M+Na]+ 415.04692 189.7
[M-H]- 391.05042 185.8
[M+NH4]+ 410.09152 191.9
[M+K]+ 431.02086 181.3
[M+H-H2O]+ 375.05496 170.7
[M+HCOO]- 437.05590 193.1
[M+CH3COO]- 451.07155 190.2
[M+Na-2H]- 413.03237 180.8
[M]+ 392.05715 181.9
[M]- 392.05825 181.9
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

patents stripe