CID 509783

Schembl7479876

Structural Information

Molecular Formula
C14H23ClN4OS
SMILES
C1CCCC(CC1)NC2=NN=C(S2)NC(=O)CCCCCl
InChI
InChI=1S/C14H23ClN4OS/c15-10-6-5-9-12(20)17-14-19-18-13(21-14)16-11-7-3-1-2-4-8-11/h11H,1-10H2,(H,16,18)(H,17,19,20)
InChIKey
GYGPYWZCVZBEKW-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(cycloheptylamino)-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 176.3
[M+Na]+ 353.11732 178.6
[M-H]- 329.12082 179.9
[M+NH4]+ 348.16192 188.6
[M+K]+ 369.09126 178.3
[M+H-H2O]+ 313.12536 165.8
[M+HCOO]- 375.12630 185.9
[M+CH3COO]- 389.14195 208.2
[M+Na-2H]- 351.10277 174.3
[M]+ 330.12755 172.5
[M]- 330.12865 172.5
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