CID 135688484

2-hydroxy-1-naphthaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C18H14ClN3OS
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=S)NC3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C18H14ClN3OS/c19-13-5-3-6-14(10-13)21-18(24)22-20-11-16-15-7-2-1-4-12(15)8-9-17(16)23/h1-11,23H,(H2,21,22,24)/b20-11+
InChIKey
UAGNAWVNVFNGFV-RGVLZGJSSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0546 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06188 178.0
[M+Na]+ 378.04382 185.8
[M-H]- 354.04732 185.4
[M+NH4]+ 373.08842 192.5
[M+K]+ 394.01776 177.8
[M+H-H2O]+ 338.05186 170.8
[M+HCOO]- 400.05280 193.8
[M+CH3COO]- 414.06845 188.4
[M+Na-2H]- 376.02927 183.0
[M]+ 355.05405 180.3
[M]- 355.05515 180.3
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.