CID 95045

4-(4-(dimethylamino)phenylimino)-2-methyl-2,5-cyclohexadien-1-one

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: 2
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]+	241.133546	154.0
[M+Na]+	263.115488	161.4
[M-H]-	239.118994	163.8
[M+NH4]+	258.160093	172.5
[M+K]+	279.089428	159.1
[M+H-H2O]+	223.123530	145.9
[M+HCOO]-	285.124471	181.3
[M+CH3COO]-	299.140121	204.3
[M+Na-2H]-	261.100936	158.8
[M]+	240.12572142	154.8
[M]-	240.12681858	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe