CID 3048804

2,3-dihydro-alpha-(1-((4-phenylbutyl)amino)ethyl)-1h-indene-5-methanol

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCCCC3=CC=CC=C3
InChI
InChI=1S/C22H29NO/c1-17(23-15-6-5-10-18-8-3-2-4-9-18)22(24)21-14-13-19-11-7-12-20(19)16-21/h2-4,8-9,13-14,16-17,22-24H,5-7,10-12,15H2,1H3
InChIKey
COPGRPQWUMVLBD-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-phenylbutylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

323.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 181.9
[M+Na]+ 346.214118 184.1
[M-H]- 322.217624 186.6
[M+NH4]+ 341.258723 197.2
[M+K]+ 362.188058 178.6
[M+H-H2O]+ 306.222160 173.8
[M+HCOO]- 368.223101 200.4
[M+CH3COO]- 382.238751 210.9
[M+Na-2H]- 344.199566 182.0
[M]+ 323.22435142 179.8
[M]- 323.22544858 179.8
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