CID 9693408

4-[(4-chlorobenzyl)oxy]benzaldehyde semicarbazone

Structural Information

Molecular Formula
C15H14ClN3O2
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)/C=N/NC(=O)N)Cl
InChI
InChI=1S/C15H14ClN3O2/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-18-19-15(17)20/h1-9H,10H2,(H3,17,19,20)/b18-9+
InChIKey
CFZKYLHRJSQARU-GIJQJNRQSA-N
Compound name
[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07745 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08473 168.6
[M+Na]+ 326.06667 175.6
[M-H]- 302.07017 176.1
[M+NH4]+ 321.11127 183.8
[M+K]+ 342.04061 170.6
[M+H-H2O]+ 286.07471 160.7
[M+HCOO]- 348.07565 191.9
[M+CH3COO]- 362.09130 210.0
[M+Na-2H]- 324.05212 173.5
[M]+ 303.07690 170.6
[M]- 303.07800 170.6
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.