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 180.2
[M+Na]+ 370.07512 186.4
[M-H]- 346.07862 187.7
[M+NH4]+ 365.11972 194.6
[M+K]+ 386.04906 179.6
[M+H-H2O]+ 330.08316 172.2
[M+HCOO]- 392.08410 197.8
[M+CH3COO]- 406.09975 217.2
[M+Na-2H]- 368.06057 182.7
[M]+ 347.08535 184.3
[M]- 347.08645 184.3
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.