CID 6475717

(8e)-6-methyl-2-oxo-4-(2-thienyl)-8-(2-thienylmethylene)-3,4,5,7-tetrahydro-1h-1,6-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C19H17N3OS2
SMILES
CN1C/C(=C\C2=CC=CS2)/C3=C(C1)C(C(C(=O)N3)C#N)C4=CC=CS4
InChI
InChI=1S/C19H17N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(23)21-18/h2-8,14,17H,10-11H2,1H3,(H,21,23)/b12-8+
InChIKey
YLOFXAMJEJEYSZ-XYOKQWHBSA-N
Compound name
(8E)-6-methyl-2-oxo-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-3,4,5,7-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.0813 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08858 195.2
[M+Na]+ 390.07052 208.2
[M-H]- 366.07402 201.2
[M+NH4]+ 385.11512 209.0
[M+K]+ 406.04446 198.2
[M+H-H2O]+ 350.07856 182.8
[M+HCOO]- 412.07950 200.6
[M+CH3COO]- 426.09515 203.4
[M+Na-2H]- 388.05597 189.6
[M]+ 367.08075 190.3
[M]- 367.08185 190.3
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.