CID 9658448

3-bromo-5-hydroxy-4-methoxybenzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C15H14BrN3O3
SMILES
COC1=C(C=C(C=C1Br)/C=N/NC(=O)NC2=CC=CC=C2)O
InChI
InChI=1S/C15H14BrN3O3/c1-22-14-12(16)7-10(8-13(14)20)9-17-19-15(21)18-11-5-3-2-4-6-11/h2-9,20H,1H3,(H2,18,19,21)/b17-9+
InChIKey
UPPULOCDVNLBJO-RQZCQDPDSA-N
Compound name
1-[(E)-(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.02185 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.02913 174.4
[M+Na]+ 386.01107 176.3
[M+NH4]+ 381.05567 177.3
[M+K]+ 401.98501 176.1
[M-H]- 362.01457 177.0
[M+Na-2H]- 383.99652 178.3
[M]+ 363.02130 174.0
[M]- 363.02240 174.0
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.