CID 3003143

Chembl267235

Structural Information

Molecular Formula
C17H15N3OS
SMILES
COC1=CC=CC=C1CNC(=S)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H15N3OS/c1-21-16-5-3-2-4-13(16)11-19-17(22)15-7-6-12-10-18-9-8-14(12)20-15/h2-10H,11H2,1H3,(H,19,22)
InChIKey
XJOUEZYSVKIOTN-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

309.0936 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 169.3
[M+Na]+ 332.08282 177.4
[M-H]- 308.08632 174.1
[M+NH4]+ 327.12742 182.5
[M+K]+ 348.05676 171.1
[M+H-H2O]+ 292.09086 160.1
[M+HCOO]- 354.09180 185.2
[M+CH3COO]- 368.10745 179.8
[M+Na-2H]- 330.06827 174.6
[M]+ 309.09305 171.5
[M]- 309.09415 171.5
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.