CID 95046

64693-20-5

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C(=C2)OC

InChI

InChI=1S/C15H16N2O2/c1-17(2)13-7-4-11(5-8-13)16-12-6-9-14(18)15(10-12)19-3/h4-10H,1-3H3

InChIKey

YTRUZYBMZGIRFA-UHFFFAOYSA-N

Compound name

4-[4-(dimethylamino)phenyl]imino-2-methoxycyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 256.1212 Da
Monoisotopic Mass: 1.9
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]+	257.12848	157.2
[M+Na]+	279.11042	164.6
[M-H]-	255.11392	167.0
[M+NH4]+	274.15502	175.0
[M+K]+	295.08436	162.9
[M+H-H2O]+	239.11846	148.8
[M+HCOO]-	301.11940	184.7
[M+CH3COO]-	315.13505	206.4
[M+Na-2H]-	277.09587	162.1
[M]+	256.12065	159.5
[M]-	256.12175	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe