CID 111423

68912-03-8

Structural Information

Molecular Formula
C27H30N2O2S
SMILES
CCN1C(=C(C2=CC=CC=C21)C(C3=CC=C(C=C3)N(C)C)S(=O)(=O)C4=CC=C(C=C4)C)C
InChI
InChI=1S/C27H30N2O2S/c1-6-29-20(3)26(24-9-7-8-10-25(24)29)27(21-13-15-22(16-14-21)28(4)5)32(30,31)23-17-11-19(2)12-18-23/h7-18,27H,6H2,1-5H3
InChIKey
WRJIKPUORUQVCV-UHFFFAOYSA-N
Compound name
4-[(1-ethyl-2-methylindol-3-yl)-(4-methylphenyl)sulfonylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

446.2028 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21008 209.2
[M+Na]+ 469.19202 224.5
[M+NH4]+ 464.23662 217.0
[M+K]+ 485.16596 215.9
[M-H]- 445.19552 216.1
[M+Na-2H]- 467.17747 218.6
[M]+ 446.20225 214.2
[M]- 446.20335 214.2
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

patents stripe