CID 509408

Schembl7491936

Structural Information

Molecular Formula
C17H19Cl2N5O3S
SMILES
CCOC(=O)N1CCC(CC1)NC2=NN=C(S2)NC(=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H19Cl2N5O3S/c1-2-27-17(26)24-8-6-10(7-9-24)20-15-22-23-16(28-15)21-14(25)13-11(18)4-3-5-12(13)19/h3-5,10H,2,6-9H2,1H3,(H,20,22)(H,21,23,25)
InChIKey
PEWNLVHJJWXEHB-UHFFFAOYSA-N
Compound name
ethyl 4-[[5-[(2,6-dichlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

443.05856 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.06584 197.0
[M+Na]+ 466.04778 203.0
[M-H]- 442.05128 202.4
[M+NH4]+ 461.09238 205.2
[M+K]+ 482.02172 197.1
[M+H-H2O]+ 426.05582 188.3
[M+HCOO]- 488.05676 200.9
[M+CH3COO]- 502.07241 226.1
[M+Na-2H]- 464.03323 193.9
[M]+ 443.05801 200.0
[M]- 443.05911 200.0
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