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
1
Annotation Hits

0
References

222
Patents

398.2028 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21008 192.4
[M+Na]+ 421.19202 199.2
[M-H]- 397.19552 200.4
[M+NH4]+ 416.23662 209.2
[M+K]+ 437.16596 194.6
[M+H-H2O]+ 381.20006 184.9
[M+HCOO]- 443.20100 207.1
[M+CH3COO]- 457.21665 229.5
[M+Na-2H]- 419.17747 196.7
[M]+ 398.20225 195.3
[M]- 398.20335 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.