CID 95045

64693-19-2

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CC1=CC(=NC2=CC=C(C=C2)N(C)C)C=CC1=O

InChI

InChI=1S/C15H16N2O/c1-11-10-13(6-9-15(11)18)16-12-4-7-14(8-5-12)17(2)3/h4-10H,1-3H3

InChIKey

TVFVEJDBKZLTOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 240.12627 Da
Monoisotopic Mass: 2.4
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]+	241.13355	155.6
[M+Na]+	263.11549	169.5
[M+NH4]+	258.16009	164.6
[M+K]+	279.08943	161.5
[M-H]-	239.11899	162.1
[M+Na-2H]-	261.10094	165.1
[M]+	240.12572	159.4
[M]-	240.12682	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe