CID 3006065

(2-methyl-6-methoxy-4-quinolinyl)-isonicotinoyl thiosemicarbazone

Structural Information

Molecular Formula
C18H15N5O2S
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)C3=C(C=CN=C3)C(=O)NC(=S)N=N
InChI
InChI=1S/C18H15N5O2S/c1-10-7-13(14-8-11(25-2)3-4-16(14)21-10)15-9-20-6-5-12(15)17(24)22-18(26)23-19/h3-9,19H,1-2H3,(H,22,24,26)
InChIKey
PSFUCEOVUJRVTM-UHFFFAOYSA-N
Compound name
N-(iminocarbamothioyl)-3-(6-methoxy-2-methylquinolin-4-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09464 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10192 184.0
[M+Na]+ 388.08386 192.0
[M-H]- 364.08736 190.7
[M+NH4]+ 383.12846 195.1
[M+K]+ 404.05780 186.4
[M+H-H2O]+ 348.09190 174.2
[M+HCOO]- 410.09284 202.4
[M+CH3COO]- 424.10849 224.5
[M+Na-2H]- 386.06931 188.5
[M]+ 365.09409 187.1
[M]- 365.09519 187.1
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.