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]+ 331.23802 181.6
[M+Na]+ 353.21996 186.6
[M-H]- 329.22346 186.0
[M+NH4]+ 348.26456 196.3
[M+K]+ 369.19390 181.9
[M+H-H2O]+ 313.22800 173.3
[M+HCOO]- 375.22894 199.2
[M+CH3COO]- 389.24459 212.9
[M+Na-2H]- 351.20541 181.0
[M]+ 330.23019 181.2
[M]- 330.23129 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.