CID 3059415

76410-33-8

Structural Information

Molecular Formula
C20H30N2O2
SMILES
CC1=C(N(C2=C1C(=CC=C2)OCC(CNC3CCCCC3)O)C)C
InChI
InChI=1S/C20H30N2O2/c1-14-15(2)22(3)18-10-7-11-19(20(14)18)24-13-17(23)12-21-16-8-5-4-6-9-16/h7,10-11,16-17,21,23H,4-6,8-9,12-13H2,1-3H3
InChIKey
PPOAVTBLGUBCLX-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-(1,2,3-trimethylindol-4-yl)oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.238016 181.6
[M+Na]+ 353.219958 186.6
[M-H]- 329.223464 186.0
[M+NH4]+ 348.264563 196.3
[M+K]+ 369.193898 181.9
[M+H-H2O]+ 313.228000 173.3
[M+HCOO]- 375.228941 199.2
[M+CH3COO]- 389.244591 212.9
[M+Na-2H]- 351.205406 181.0
[M]+ 330.23019142 181.2
[M]- 330.23128858 181.2
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

No patent data available for this compound.