CID 11739624

Chembl197864

Structural Information

Molecular Formula
C13H10ClN5O3S
SMILES
COC1=CC(=NC2=NC(=NC(=O)C3=C(N=CC=C3)Cl)SN12)OC
InChI
InChI=1S/C13H10ClN5O3S/c1-21-8-6-9(22-2)19-12(16-8)18-13(23-19)17-11(20)7-4-3-5-15-10(7)14/h3-6H,1-2H3
InChIKey
VPTCKLDZBMSKTF-UHFFFAOYSA-N
Compound name
2-chloro-N-(5,7-dimethoxy-[1,2,4]thiadiazolo[2,3-a]pyrimidin-2-ylidene)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.0193 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.02658 174.6
[M+Na]+ 374.00852 188.1
[M-H]- 350.01202 180.2
[M+NH4]+ 369.05312 187.4
[M+K]+ 389.98246 182.7
[M+H-H2O]+ 334.01656 165.8
[M+HCOO]- 396.01750 188.8
[M+CH3COO]- 410.03315 186.6
[M+Na-2H]- 371.99397 178.3
[M]+ 351.01875 185.2
[M]- 351.01985 185.2
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.