CID 70487064

50910-53-7

Structural Information

Molecular Formula

C₁₃H₁₆Br₂N₂O

SMILES

C1CC(CCC1N=CC2=C(C(=CC(=C2)Br)Br)N)O

InChI

InChI=1S/C13H16Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-7,10-11,18H,1-4,16H2

InChIKey

PACIGGABLPTEDO-UHFFFAOYSA-N

Compound name

4-[(2-amino-3,5-dibromophenyl)methylideneamino]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 373.96295 Da
Monoisotopic Mass: 2.8
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]+	374.97023	166.7
[M+Na]+	396.95217	160.7
[M+NH4]+	391.99677	168.4
[M+K]+	412.92611	166.4
[M-H]-	372.95567	168.9
[M+Na-2H]-	394.93762	167.5
[M]+	373.96240	165.3
[M]-	373.96350	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe