CID 509782

Schembl7482839

Structural Information

Molecular Formula
C14H23ClN4OS
SMILES
C1CCC(CC1)CNC2=NN=C(S2)NC(=O)CCCCCl
InChI
InChI=1S/C14H23ClN4OS/c15-9-5-4-8-12(20)17-14-19-18-13(21-14)16-10-11-6-2-1-3-7-11/h11H,1-10H2,(H,16,18)(H,17,19,20)
InChIKey
LCLLSPVCPKJIQJ-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.1281 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13538 175.6
[M+Na]+ 353.11732 179.2
[M-H]- 329.12082 178.2
[M+NH4]+ 348.16192 189.0
[M+K]+ 369.09126 173.9
[M+H-H2O]+ 313.12536 167.0
[M+HCOO]- 375.12630 185.6
[M+CH3COO]- 389.14195 208.0
[M+Na-2H]- 351.10277 174.3
[M]+ 330.12755 175.4
[M]- 330.12865 175.4
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