CID 45054419

1-naphthaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C19H17N3S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H17N3S/c1-14-6-4-10-17(12-14)21-19(23)22-20-13-16-9-5-8-15-7-2-3-11-18(15)16/h2-13H,1H3,(H2,21,22,23)/b20-13+
InChIKey
XTCQDDNKKYMDIA-DEDYPNTBSA-N
Compound name
1-(3-methylphenyl)-3-[(E)-naphthalen-1-ylmethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.11432 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12160 171.8
[M+Na]+ 342.10354 178.3
[M-H]- 318.10704 180.2
[M+NH4]+ 337.14814 187.4
[M+K]+ 358.07748 171.6
[M+H-H2O]+ 302.11158 163.1
[M+HCOO]- 364.11252 193.0
[M+CH3COO]- 378.12817 182.7
[M+Na-2H]- 340.08899 177.6
[M]+ 319.11377 172.0
[M]- 319.11487 172.0
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.