CID 7574914

2-((4-chlorobenzyl)oxy)benzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C17H18ClN3OS
SMILES
CCNC(=S)N/N=C/C1=CC=CC=C1OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClN3OS/c1-2-19-17(23)21-20-11-14-5-3-4-6-16(14)22-12-13-7-9-15(18)10-8-13/h3-11H,2,12H2,1H3,(H2,19,21,23)/b20-11+
InChIKey
DOIRGGUUJKITDN-RGVLZGJSSA-N
Compound name
1-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0859 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09318 180.9
[M+Na]+ 370.07512 193.1
[M+NH4]+ 365.11972 189.1
[M+K]+ 386.04906 182.1
[M-H]- 346.07862 187.0
[M+Na-2H]- 368.06057 189.4
[M]+ 347.08535 185.0
[M]- 347.08645 185.0
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.