CID 24843552

Brn 4721047

Structural Information

Molecular Formula
C28H34N2O2
SMILES
CC1=C(NC2=CC=CC=C12)C3=CC=C(C=C3)OCC(CNC45CC6CC(C4)CC(C6)C5)O
InChI
InChI=1S/C28H34N2O2/c1-18-25-4-2-3-5-26(25)30-27(18)22-6-8-24(9-7-22)32-17-23(31)16-29-28-13-19-10-20(14-28)12-21(11-19)15-28/h2-9,19-21,23,29-31H,10-17H2,1H3
InChIKey
OGANTNZKQNWEDS-UHFFFAOYSA-N
Compound name
1-(1-adamantylamino)-3-[4-(3-methyl-1H-indol-2-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.26202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.26930 193.4
[M+Na]+ 453.25124 193.1
[M-H]- 429.25474 191.4
[M+NH4]+ 448.29584 209.0
[M+K]+ 469.22518 186.1
[M+H-H2O]+ 413.25928 182.5
[M+HCOO]- 475.26022 195.9
[M+CH3COO]- 489.27587 197.4
[M+Na-2H]- 451.23669 199.1
[M]+ 430.26147 193.3
[M]- 430.26257 193.3
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.