CID 9566475

767311-93-3

Structural Information

Molecular Formula
C18H14ClN3S
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=S)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H14ClN3S/c19-15-8-4-9-16(11-15)21-18(23)22-20-12-14-7-3-6-13-5-1-2-10-17(13)14/h1-12H,(H2,21,22,23)/b20-12+
InChIKey
MNXLAXFHOLZSDT-UDWIEESQSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

339.0597 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.06698 175.0
[M+Na]+ 362.04892 182.6
[M-H]- 338.05242 183.4
[M+NH4]+ 357.09352 190.7
[M+K]+ 378.02286 174.7
[M+H-H2O]+ 322.05696 167.4
[M+HCOO]- 384.05790 192.1
[M+CH3COO]- 398.07355 185.9
[M+Na-2H]- 360.03437 180.8
[M]+ 339.05915 177.3
[M]- 339.06025 177.3
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.