CID 234041

18977-38-3

Structural Information

Molecular Formula

C₂₄H₂₈N₂O

SMILES

CN(C)C1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)N(C)C)C2=O

InChI

InChI=1S/C24H28N2O/c1-25(2)22-12-8-18(9-13-22)16-20-6-5-7-21(24(20)27)17-19-10-14-23(15-11-19)26(3)4/h8-17H,5-7H2,1-4H3

InChIKey

XRJCFZUOXQVWGF-UHFFFAOYSA-N

Compound name

2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 572
Patents: 360.22015 Da
Monoisotopic Mass: 5.3
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]+	361.227426	190.3
[M+Na]+	383.209368	193.9
[M-H]-	359.212874	201.5
[M+NH4]+	378.253973	203.2
[M+K]+	399.183308	189.3
[M+H-H2O]+	343.217410	180.0
[M+HCOO]-	405.218351	212.0
[M+CH3COO]-	419.234001	228.5
[M+Na-2H]-	381.194816	188.9
[M]+	360.21960142	187.6
[M]-	360.22069858	187.6

Literature stripe

literature stripe

Patent stripe

patents stripe