CID 509942

Schembl7482991

Structural Information

Molecular Formula
C15H19ClN4OS2
SMILES
C1=CC=C(C=C1)SCCNC2=NN=C(S2)NC(=O)CCCCCl
InChI
InChI=1S/C15H19ClN4OS2/c16-9-5-4-8-13(21)18-15-20-19-14(23-15)17-10-11-22-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20,21)
InChIKey
MBHZPNHFEODMIP-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(2-phenylsulfanylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.06888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 179.2
[M+Na]+ 393.05810 185.8
[M-H]- 369.06160 182.7
[M+NH4]+ 388.10270 191.7
[M+K]+ 409.03204 178.2
[M+H-H2O]+ 353.06614 171.3
[M+HCOO]- 415.06708 187.8
[M+CH3COO]- 429.08273 213.9
[M+Na-2H]- 391.04355 179.0
[M]+ 370.06833 184.3
[M]- 370.06943 184.3
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