CID 477308

[4-(5-amino-2-chloro-phenyl)-1,2,5-thiadiazol-3-yl] n-methyl-n-propyl-carbamate

Structural Information

Molecular Formula
C13H15ClN4O2S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2)N)Cl
InChI
InChI=1S/C13H15ClN4O2S/c1-3-6-18(2)13(19)20-12-11(16-21-17-12)9-7-8(15)4-5-10(9)14/h4-5,7H,3,6,15H2,1-2H3
InChIKey
BUTBJEPQKJBFHC-UHFFFAOYSA-N
Compound name
[4-(5-amino-2-chlorophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.06042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.06770 172.9
[M+Na]+ 349.04964 181.8
[M-H]- 325.05314 178.9
[M+NH4]+ 344.09424 187.7
[M+K]+ 365.02358 177.5
[M+H-H2O]+ 309.05768 165.0
[M+HCOO]- 371.05862 187.5
[M+CH3COO]- 385.07427 210.4
[M+Na-2H]- 347.03509 171.9
[M]+ 326.05987 179.1
[M]- 326.06097 179.1
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.