CID 916453

Alpha-(4-bromophenylimino)-n,n-dimethyl-p-toluidine

Structural Information

Molecular Formula

C₁₅H₁₅BrN₂

SMILES

CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H15BrN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3-11H,1-2H3

InChIKey

APXXWOXAUKWLDQ-UHFFFAOYSA-N

Compound name

4-[(4-bromophenyl)iminomethyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 302.04187 Da
Monoisotopic Mass: 4.0
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]+	303.049146	161.4
[M+Na]+	325.031088	171.4
[M-H]-	301.034594	172.9
[M+NH4]+	320.075693	180.8
[M+K]+	341.005028	160.1
[M+H-H2O]+	285.039130	158.9
[M+HCOO]-	347.040071	186.7
[M+CH3COO]-	361.055721	210.1
[M+Na-2H]-	323.016536	168.6
[M]+	302.04132142	180.9
[M]-	302.04241858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe