CID 45054856

4-[(4-chlorobenzyl)oxy]-3-ethoxybenzaldehyde semicarbazone

Structural Information

Molecular Formula
C17H18ClN3O3
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)N)OCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClN3O3/c1-2-23-16-9-13(10-20-21-17(19)22)5-8-15(16)24-11-12-3-6-14(18)7-4-12/h3-10H,2,11H2,1H3,(H3,19,21,22)/b20-10+
InChIKey
NQMLBIZKRLZRRJ-KEBDBYFISA-N
Compound name
[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10367 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.110946 180.6
[M+Na]+ 370.092888 187.4
[M-H]- 346.096394 188.1
[M+NH4]+ 365.137493 194.2
[M+K]+ 386.066828 182.8
[M+H-H2O]+ 330.100930 172.2
[M+HCOO]- 392.101871 203.4
[M+CH3COO]- 406.117521 219.3
[M+Na-2H]- 368.078336 183.8
[M]+ 347.10312142 185.0
[M]- 347.10421858 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.