CID 509767

Schembl7484384

Structural Information

Molecular Formula
C16H18F2N4OS
SMILES
C1CCCC(CC1)NC2=NN=C(S2)NC(=O)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C16H18F2N4OS/c17-11-7-10(8-12(18)9-11)14(23)20-16-22-21-15(24-16)19-13-5-3-1-2-4-6-13/h7-9,13H,1-6H2,(H,19,21)(H,20,22,23)
InChIKey
SIYNWAIIZYCMEL-UHFFFAOYSA-N
Compound name
N-[5-(cycloheptylamino)-1,3,4-thiadiazol-2-yl]-3,5-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

352.11694 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12422 177.0
[M+Na]+ 375.10616 180.8
[M-H]- 351.10966 182.3
[M+NH4]+ 370.15076 187.8
[M+K]+ 391.08010 180.2
[M+H-H2O]+ 335.11420 165.4
[M+HCOO]- 397.11514 189.9
[M+CH3COO]- 411.13079 185.0
[M+Na-2H]- 373.09161 174.8
[M]+ 352.11639 169.2
[M]- 352.11749 169.2
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