CID 15277

1562-94-3

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]

InChI

InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3

InChIKey

KAEZRSFWWCTVNP-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl)-(4-methoxyphenyl)imino-oxidoazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 610
Patents: 258.10043 Da
Monoisotopic Mass: 3.1
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]+	259.10771	156.9
[M+Na]+	281.08965	163.2
[M-H]-	257.09315	165.1
[M+NH4]+	276.13425	173.1
[M+K]+	297.06359	157.1
[M+H-H2O]+	241.09769	153.1
[M+HCOO]-	303.09863	185.0
[M+CH3COO]-	317.11428	194.7
[M+Na-2H]-	279.07510	165.2
[M]+	258.09988	158.0
[M]-	258.10098	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe