CID 9570448

Brn 3317662

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

0
Patents

304.02112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02840 160.3
[M+Na]+ 327.01034 164.8
[M+NH4]+ 322.05494 165.6
[M+K]+ 342.98428 162.6
[M-H]- 303.01384 164.6
[M+Na-2H]- 324.99579 166.9
[M]+ 304.02057 161.0
[M]- 304.02167 161.0
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.