CID 292415

N,n-dimethyl-alpha-(3-nitrophenylimino)-p-toluidine

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CN(C)C1=CC=C(C=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O2/c1-17(2)14-8-6-12(7-9-14)11-16-13-4-3-5-15(10-13)18(19)20/h3-11H,1-2H3

InChIKey

AEPMBZVOGQXDDD-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-[(3-nitrophenyl)iminomethyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.11642 Da
Monoisotopic Mass: 3.2
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]+	270.123696	160.6
[M+Na]+	292.105638	166.1
[M-H]-	268.109144	169.9
[M+NH4]+	287.150243	176.5
[M+K]+	308.079578	160.0
[M+H-H2O]+	252.113680	156.3
[M+HCOO]-	314.114621	189.8
[M+CH3COO]-	328.130271	202.9
[M+Na-2H]-	290.091086	168.0
[M]+	269.11587142	160.4
[M]-	269.11696858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe