CID 4458564

303064-95-1

Structural Information

Molecular Formula
C16H15BrN2O2
SMILES
CC1=CC=C(C=C1)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)C
InChI
InChI=1S/C16H15BrN2O2/c1-10-3-5-12(6-4-10)11(2)18-19-16(21)14-9-13(17)7-8-15(14)20/h3-9,20H,1-2H3,(H,19,21)
InChIKey
YXPOIKXAILYFSQ-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.03168 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03896 171.7
[M+Na]+ 369.02090 180.7
[M-H]- 345.02440 180.7
[M+NH4]+ 364.06550 187.9
[M+K]+ 384.99484 168.6
[M+H-H2O]+ 329.02894 169.0
[M+HCOO]- 391.02988 193.2
[M+CH3COO]- 405.04553 212.7
[M+Na-2H]- 367.00635 175.5
[M]+ 346.03113 189.5
[M]- 346.03223 189.5
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.