CID 3048806

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

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-16(22-14-6-9-17-7-3-2-4-8-17)21(23)20-13-12-18-10-5-11-19(18)15-20/h2-4,7-8,12-13,15-16,21-23H,5-6,9-11,14H2,1H3
InChIKey
SFVPJRKQPGQPAP-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-phenylpropylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.4
[M+Na]+ 332.19848 180.0
[M-H]- 308.20198 182.3
[M+NH4]+ 327.24308 193.3
[M+K]+ 348.17242 174.8
[M+H-H2O]+ 292.20652 169.5
[M+HCOO]- 354.20746 196.2
[M+CH3COO]- 368.22311 208.0
[M+Na-2H]- 330.18393 178.0
[M]+ 309.20871 174.9
[M]- 309.20981 174.9
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.