CID 510293

Schembl7481597

Structural Information

Molecular Formula
C17H22Cl2N4OS
SMILES
CCCCC(CC)CNC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H22Cl2N4OS/c1-3-5-6-11(4-2)10-20-16-22-23-17(25-16)21-15(24)12-7-8-13(18)14(19)9-12/h7-9,11H,3-6,10H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKey
OWKQTJFRXWTSGC-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[5-(2-ethylhexylamino)-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

400.08914 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09642 192.0
[M+Na]+ 423.07836 198.9
[M-H]- 399.08186 195.6
[M+NH4]+ 418.12296 203.8
[M+K]+ 439.05230 191.7
[M+H-H2O]+ 383.08640 184.2
[M+HCOO]- 445.08734 199.1
[M+CH3COO]- 459.10299 222.8
[M+Na-2H]- 421.06381 188.9
[M]+ 400.08859 198.3
[M]- 400.08969 198.3
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