CID 93567

955-98-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

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

InChI

InChI=1S/C14H14N2O/c1-11-3-7-13(8-4-11)15-16(17)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey

SDCOJRCIBWCATN-UHFFFAOYSA-N

Compound name

(4-methylphenyl)-(4-methylphenyl)imino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 226.11061 Da
Monoisotopic Mass: 3.9
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]+	227.11789	150.2
[M+Na]+	249.09983	166.2
[M+NH4]+	244.14443	160.1
[M+K]+	265.07377	159.9
[M-H]-	225.10333	158.2
[M+Na-2H]-	247.08528	161.0
[M]+	226.11006	154.9
[M]-	226.11116	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe