CID 468331

Rd4-2217

Structural Information

Molecular Formula
C13H14Cl2N4O2S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)N)Cl
InChI
InChI=1S/C13H14Cl2N4O2S/c1-3-6-19(2)13(20)21-12-11(17-22-18-12)9-7(14)4-5-8(16)10(9)15/h4-5H,3,6,16H2,1-2H3
InChIKey
VBYJPZJPEIEZCA-UHFFFAOYSA-N
Compound name
[4-(3-amino-2,6-dichlorophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.02145 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.02873 178.7
[M+Na]+ 383.01067 188.5
[M-H]- 359.01417 184.4
[M+NH4]+ 378.05527 192.9
[M+K]+ 398.98461 183.3
[M+H-H2O]+ 343.01871 171.8
[M+HCOO]- 405.01965 188.2
[M+CH3COO]- 419.03530 215.7
[M+Na-2H]- 380.99612 176.4
[M]+ 360.02090 186.2
[M]- 360.02200 186.2
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.