CID 135493221

2-hydroxy-1-naphthaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C14H15N3OS
SMILES
CCNC(=S)N/N=C/C1=C(C=CC2=CC=CC=C21)O
InChI
InChI=1S/C14H15N3OS/c1-2-15-14(19)17-16-9-12-11-6-4-3-5-10(11)7-8-13(12)18/h3-9,18H,2H2,1H3,(H2,15,17,19)/b16-9+
InChIKey
IDWSYZMSXOBZMW-CXUHLZMHSA-N
Compound name
1-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0936 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 158.7
[M+Na]+ 296.08282 165.1
[M-H]- 272.08632 162.9
[M+NH4]+ 291.12742 175.8
[M+K]+ 312.05676 159.9
[M+H-H2O]+ 256.09086 151.5
[M+HCOO]- 318.09180 178.7
[M+CH3COO]- 332.10745 204.1
[M+Na-2H]- 294.06827 163.9
[M]+ 273.09305 159.2
[M]- 273.09415 159.2
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.