CID 468330

Rd5-2128

Structural Information

Molecular Formula
C14H12Cl2N4O2S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)C#N)Cl
InChI
InChI=1S/C14H12Cl2N4O2S/c1-3-6-20(2)14(21)22-13-12(18-23-19-13)10-9(15)5-4-8(7-17)11(10)16/h4-5H,3,6H2,1-2H3
InChIKey
KQXBGRFOGUKYKD-UHFFFAOYSA-N
Compound name
[4-(2,6-dichloro-3-cyanophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01308 183.6
[M+Na]+ 392.99502 195.5
[M-H]- 368.99852 188.3
[M+NH4]+ 388.03962 196.2
[M+K]+ 408.96896 190.1
[M+H-H2O]+ 353.00306 169.8
[M+HCOO]- 415.00400 189.6
[M+CH3COO]- 429.01965 223.9
[M+Na-2H]- 390.98047 181.0
[M]+ 370.00525 186.7
[M]- 370.00635 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.