CID 510252

Schembl7482873

Structural Information

Molecular Formula
C16H18F2N4OS
SMILES
C1CCC(CC1)CNC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H18F2N4OS/c17-11-6-7-12(13(18)8-11)14(23)20-16-22-21-15(24-16)19-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,19,21)(H,20,22,23)
InChIKey
SZDWYBKUVSPMQE-UHFFFAOYSA-N
Compound name
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-2,4-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 176.3
[M+Na]+ 375.10616 181.9
[M-H]- 351.10966 180.4
[M+NH4]+ 370.15076 188.0
[M+K]+ 391.08010 175.9
[M+H-H2O]+ 335.11420 165.2
[M+HCOO]- 397.11514 189.8
[M+CH3COO]- 411.13079 184.9
[M+Na-2H]- 373.09161 174.8
[M]+ 352.11639 171.6
[M]- 352.11749 171.6
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

patents stripe