CID 15956136

[1,2,3]thiadiazole-4-carboxylic acid {5-[3-(3,5-dichloro-2,4-dimethoxy-phenyl)-thioureido]-pyridin-2-yl}-amide

Structural Information

Molecular Formula
C17H14Cl2N6O3S2
SMILES
COC1=C(C(=C(C=C1NC(=S)NC2=CN=C(C=C2)NC(=O)C3=CSN=N3)Cl)OC)Cl
InChI
InChI=1S/C17H14Cl2N6O3S2/c1-27-14-9(18)5-10(15(28-2)13(14)19)22-17(29)21-8-3-4-12(20-6-8)23-16(26)11-7-30-25-24-11/h3-7H,1-2H3,(H,20,23,26)(H2,21,22,29)
InChIKey
XWRYHQXGQYIIHZ-UHFFFAOYSA-N
Compound name
N-[5-[(3,5-dichloro-2,4-dimethoxyphenyl)carbamothioylamino]pyridin-2-yl]thiadiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.9946 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.00188 200.8
[M+Na]+ 506.98382 209.4
[M-H]- 482.98732 207.4
[M+NH4]+ 502.02842 208.0
[M+K]+ 522.95776 201.9
[M+H-H2O]+ 466.99186 193.5
[M+HCOO]- 528.99280 204.7
[M+CH3COO]- 543.00845 208.6
[M+Na-2H]- 504.96927 200.3
[M]+ 483.99405 208.2
[M]- 483.99515 208.2
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.