CID 477311

[4-(3-amino-2-chloro-6-fluoro-phenyl)-1,2,5-thiadiazol-3-yl] n-methyl-n-propyl-carbamate

Structural Information

Molecular Formula
C13H14ClFN4O2S
SMILES
CCCN(C)C(=O)OC1=NSN=C1C2=C(C=CC(=C2Cl)N)F
InChI
InChI=1S/C13H14ClFN4O2S/c1-3-6-19(2)13(20)21-12-11(17-22-18-12)9-7(15)4-5-8(16)10(9)14/h4-5H,3,6,16H2,1-2H3
InChIKey
YUQYMXHBCUWQMD-UHFFFAOYSA-N
Compound name
[4-(3-amino-2-chloro-6-fluorophenyl)-1,2,5-thiadiazol-3-yl] N-methyl-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.051 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05828 174.7
[M+Na]+ 367.04022 184.4
[M-H]- 343.04372 179.6
[M+NH4]+ 362.08482 189.0
[M+K]+ 383.01416 179.7
[M+H-H2O]+ 327.04826 166.1
[M+HCOO]- 389.04920 188.2
[M+CH3COO]- 403.06485 214.3
[M+Na-2H]- 365.02567 172.5
[M]+ 344.05045 180.3
[M]- 344.05155 180.3
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

No patent data available for this compound.