CID 509788

Schembl7485315

Structural Information

Molecular Formula
C14H16ClFN4OS
SMILES
C1=CC(=CC=C1CNC2=NN=C(S2)NC(=O)CCCCCl)F
InChI
InChI=1S/C14H16ClFN4OS/c15-8-2-1-3-12(21)18-14-20-19-13(22-14)17-9-10-4-6-11(16)7-5-10/h4-7H,1-3,8-9H2,(H,17,19)(H,18,20,21)
InChIKey
UMEDHPZZOFQIGI-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

342.07175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07903 173.9
[M+Na]+ 365.06097 181.6
[M-H]- 341.06447 176.8
[M+NH4]+ 360.10557 187.4
[M+K]+ 381.03491 174.9
[M+H-H2O]+ 325.06901 164.7
[M+HCOO]- 387.06995 187.2
[M+CH3COO]- 401.08560 210.6
[M+Na-2H]- 363.04642 174.2
[M]+ 342.07120 177.5
[M]- 342.07230 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