CID 292080

17064-95-8

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

CC1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O2/c1-11-5-7-13(8-6-11)15-10-12-3-2-4-14(9-12)16(17)18/h2-10H,1H3

InChIKey

XTPAJQOAWUWVLP-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-1-(3-nitrophenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 240.08987 Da
Monoisotopic Mass: 3.4
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]+	241.09715	152.6
[M+Na]+	263.07909	168.1
[M+NH4]+	258.12369	161.6
[M+K]+	279.05303	162.2
[M-H]-	239.08259	159.7
[M+Na-2H]-	261.06454	162.8
[M]+	240.08932	156.8
[M]-	240.09042	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe