CID 9570448

P-anisaldehyde, (p-bromophenyl)hydrazone

Structural Information

Molecular Formula

C₁₄H₁₃BrN₂O

SMILES

COC1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O/c1-18-14-8-2-11(3-9-14)10-16-17-13-6-4-12(15)5-7-13/h2-10,17H,1H3/b16-10+

InChIKey

PPYVGVXJQCLFHW-MHWRWJLKSA-N

Compound name

4-bromo-N-[(E)-(4-methoxyphenyl)methylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 304.02112 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.028396	159.3
[M+Na]+	327.010338	169.3
[M-H]-	303.013844	169.4
[M+NH4]+	322.054943	177.8
[M+K]+	342.984278	157.4
[M+H-H2O]+	287.018380	156.7
[M+HCOO]-	349.019321	184.5
[M+CH3COO]-	363.034971	206.0
[M+Na-2H]-	324.995786	167.6
[M]+	304.02057142	178.5
[M]-	304.02166858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe