CID 135821876

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

Structural Information

Molecular Formula
C19H17N3OS
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C19H17N3OS/c1-13-5-4-7-15(11-13)21-19(24)22-20-12-17-16-8-3-2-6-14(16)9-10-18(17)23/h2-12,23H,1H3,(H2,21,22,24)/b20-12+
InChIKey
CSEFMPIFXDGPGZ-UDWIEESQSA-N
Compound name
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.10922 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11650 176.9
[M+Na]+ 358.09844 189.7
[M+NH4]+ 353.14304 185.5
[M+K]+ 374.07238 179.2
[M-H]- 334.10194 183.7
[M+Na-2H]- 356.08389 185.8
[M]+ 335.10867 181.1
[M]- 335.10977 181.1
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.