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 171.8
[M+Na]+ 386.01107 180.3
[M-H]- 362.01457 180.7
[M+NH4]+ 381.05567 186.9
[M+K]+ 401.98501 168.4
[M+H-H2O]+ 346.01911 168.0
[M+HCOO]- 408.02005 195.6
[M+CH3COO]- 422.03570 215.5
[M+Na-2H]- 383.99652 177.7
[M]+ 363.02130 190.3
[M]- 363.02240 190.3
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.