CID 5332482

2-(benzyloxy)benzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C21H19N3O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H19N3O2/c25-21(23-19-12-5-2-6-13-19)24-22-15-18-11-7-8-14-20(18)26-16-17-9-3-1-4-10-17/h1-15H,16H2,(H2,23,24,25)/b22-15+
InChIKey
OQPZRZBDLCSUDJ-PXLXIMEGSA-N
Compound name
1-phenyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.14774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.155016 180.6
[M+Na]+ 368.136958 184.3
[M-H]- 344.140464 190.7
[M+NH4]+ 363.181563 192.4
[M+K]+ 384.110898 179.6
[M+H-H2O]+ 328.145000 169.7
[M+HCOO]- 390.145941 208.1
[M+CH3COO]- 404.161591 219.0
[M+Na-2H]- 366.122406 187.4
[M]+ 345.14719142 180.0
[M]- 345.14828858 180.0
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.