CID 509819

Schembl7484949

Structural Information

Molecular Formula
C15H19ClN4OS
SMILES
C1=CC=C(C=C1)CCNC2=NN=C(S2)NC(=O)CCCCCl
InChI
InChI=1S/C15H19ClN4OS/c16-10-5-4-8-13(21)18-15-20-19-14(22-15)17-11-9-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19)(H,18,20,21)
InChIKey
KKQBXEATHXLPDT-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

338.0968 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10408 176.2
[M+Na]+ 361.08602 182.6
[M-H]- 337.08952 180.0
[M+NH4]+ 356.13062 189.7
[M+K]+ 377.05996 176.2
[M+H-H2O]+ 321.09406 167.5
[M+HCOO]- 383.09500 190.2
[M+CH3COO]- 397.11065 209.8
[M+Na-2H]- 359.07147 177.3
[M]+ 338.09625 180.7
[M]- 338.09735 180.7
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

No patent data available for this compound.