CID 9577741

Linarotene

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂S

SMILES

C/C(=N\NC1=CC=C(C=C1)S(=O)(=O)C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C

InChI

InChI=1S/C23H30N2O2S/c1-16(24-25-18-8-10-19(11-9-18)28(6,26)27)17-7-12-20-21(15-17)23(4,5)14-13-22(20,2)3/h7-12,15,25H,13-14H2,1-6H3/b24-16+

InChIKey

KGRBTTOECAZCNW-LFVJCYFKSA-N

Compound name

4-methylsulfonyl-N-[(E)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylideneamino]aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 228
Patents: 398.2028 Da
Monoisotopic Mass: 6.1
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]+	399.210076	192.4
[M+Na]+	421.192018	199.2
[M-H]-	397.195524	200.4
[M+NH4]+	416.236623	209.2
[M+K]+	437.165958	194.6
[M+H-H2O]+	381.200060	184.9
[M+HCOO]-	443.201001	207.1
[M+CH3COO]-	457.216651	229.5
[M+Na-2H]-	419.177466	196.7
[M]+	398.20225142	195.3
[M]-	398.20334858	195.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe