CID 9579107

N-ethyl-2-(1-(quinolin-2-yl)ethylidene)hydrazinecarbothioamide

Structural Information

Molecular Formula
C14H16N4S
SMILES
CCNC(=S)N/N=C(\C)/C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C14H16N4S/c1-3-15-14(19)18-17-10(2)12-9-8-11-6-4-5-7-13(11)16-12/h4-9H,3H2,1-2H3,(H2,15,18,19)/b17-10+
InChIKey
NNVCTXOMSDBHPZ-LICLKQGHSA-N
Compound name
1-ethyl-3-[(E)-1-quinolin-2-ylethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10956 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11684 160.2
[M+Na]+ 295.09878 166.2
[M-H]- 271.10228 164.3
[M+NH4]+ 290.14338 176.5
[M+K]+ 311.07272 161.6
[M+H-H2O]+ 255.10682 152.1
[M+HCOO]- 317.10776 179.3
[M+CH3COO]- 331.12341 206.6
[M+Na-2H]- 293.08423 165.5
[M]+ 272.10901 160.7
[M]- 272.11011 160.7
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.