CID 3048809

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

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CC(C(C1=CC2=C(CCC2)C=C1)O)NCCOC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClNO2/c1-14(22-11-12-24-19-9-7-18(21)8-10-19)20(23)17-6-5-15-3-2-4-16(15)13-17/h5-10,13-14,20,22-23H,2-4,11-12H2,1H3
InChIKey
HUCYCDIEYRVVDD-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)ethylamino]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

345.14957 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15685 183.3
[M+Na]+ 368.13879 188.2
[M-H]- 344.14229 188.7
[M+NH4]+ 363.18339 199.0
[M+K]+ 384.11273 182.0
[M+H-H2O]+ 328.14683 176.4
[M+HCOO]- 390.14777 198.2
[M+CH3COO]- 404.16342 211.8
[M+Na-2H]- 366.12424 183.4
[M]+ 345.14902 184.8
[M]- 345.15012 184.8
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