CID 45054510

4-butoxybenzaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C19H23N3OS
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=CC(=C2)C
InChI
InChI=1S/C19H23N3OS/c1-3-4-12-23-18-10-8-16(9-11-18)14-20-22-19(24)21-17-7-5-6-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H2,21,22,24)/b20-14+
InChIKey
FBWCDJDQWBYOLK-XSFVSMFZSA-N
Compound name
1-[(E)-(4-butoxyphenyl)methylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1562 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16348 182.6
[M+Na]+ 364.14542 193.6
[M+NH4]+ 359.19002 190.2
[M+K]+ 380.11936 183.1
[M-H]- 340.14892 188.7
[M+Na-2H]- 362.13087 190.6
[M]+ 341.15565 186.2
[M]- 341.15675 186.2
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.