CID 510261

Schembl7479435

Structural Information

Molecular Formula
C15H12F2N4OS2
SMILES
C1=CSC(=C1)CCNC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C15H12F2N4OS2/c16-9-3-4-11(12(17)8-9)13(22)19-15-21-20-14(24-15)18-6-5-10-2-1-7-23-10/h1-4,7-8H,5-6H2,(H,18,20)(H,19,21,22)
InChIKey
UPYNHAKYSVOFMF-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

366.04205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.04933 174.5
[M+Na]+ 389.03127 185.3
[M-H]- 365.03477 180.8
[M+NH4]+ 384.07587 188.7
[M+K]+ 405.00521 178.2
[M+H-H2O]+ 349.03931 165.4
[M+HCOO]- 411.04025 189.7
[M+CH3COO]- 425.05590 185.5
[M+Na-2H]- 387.01672 173.2
[M]+ 366.04150 177.5
[M]- 366.04260 177.5
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