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

8
Patents

323.2249 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 181.9
[M+Na]+ 346.21412 184.1
[M-H]- 322.21762 186.6
[M+NH4]+ 341.25872 197.2
[M+K]+ 362.18806 178.6
[M+H-H2O]+ 306.22216 173.8
[M+HCOO]- 368.22310 200.4
[M+CH3COO]- 382.23875 210.9
[M+Na-2H]- 344.19957 182.0
[M]+ 323.22435 179.8
[M]- 323.22545 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