CID 5349904

1-naphthaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C14H15N3S
SMILES
CCNC(=S)N/N=C/C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H15N3S/c1-2-15-14(18)17-16-10-12-8-5-7-11-6-3-4-9-13(11)12/h3-10H,2H2,1H3,(H2,15,17,18)/b16-10+
InChIKey
RJKKXWAPLYEEHY-MHWRWJLKSA-N
Compound name
1-ethyl-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.09866 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 155.2
[M+Na]+ 280.08788 161.5
[M-H]- 256.09138 160.6
[M+NH4]+ 275.13248 173.6
[M+K]+ 296.06182 156.6
[M+H-H2O]+ 240.09592 147.8
[M+HCOO]- 302.09686 176.6
[M+CH3COO]- 316.11251 203.2
[M+Na-2H]- 278.07333 161.4
[M]+ 257.09811 155.8
[M]- 257.09921 155.8
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.