CID 9579110

(1e)-1-(2-quinolinyl)ethanone n-(4-methoxyphenyl)-n-methylthiosemicarbazone

Structural Information

Molecular Formula
C20H20N4OS
SMILES
C/C(=N\NC(=S)N(C)C1=CC=C(C=C1)OC)/C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C20H20N4OS/c1-14(18-13-8-15-6-4-5-7-19(15)21-18)22-23-20(26)24(2)16-9-11-17(25-3)12-10-16/h4-13H,1-3H3,(H,23,26)/b22-14+
InChIKey
AYVRFGGJYLELCP-HYARGMPZSA-N
Compound name
1-(4-methoxyphenyl)-1-methyl-3-[(E)-1-quinolin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.13577 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14305 185.4
[M+Na]+ 387.12499 190.7
[M-H]- 363.12849 193.6
[M+NH4]+ 382.16959 198.1
[M+K]+ 403.09893 186.4
[M+H-H2O]+ 347.13303 175.3
[M+HCOO]- 409.13397 204.5
[M+CH3COO]- 423.14962 226.9
[M+Na-2H]- 385.11044 189.3
[M]+ 364.13522 188.4
[M]- 364.13632 188.4
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.