CID 3053282

Brn 0432582

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CN(CCC1=CC=NC=C1)CC(COC2=CC3=C(CCC3)C=C2)O
InChI
InChI=1S/C20H26N2O2/c1-22(12-9-16-7-10-21-11-8-16)14-19(23)15-24-20-6-5-17-3-2-4-18(17)13-20/h5-8,10-11,13,19,23H,2-4,9,12,14-15H2,1H3
InChIKey
BLQMIHZZAUJNTO-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yloxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 179.6
[M+Na]+ 349.18865 182.9
[M-H]- 325.19215 184.7
[M+NH4]+ 344.23325 194.1
[M+K]+ 365.16259 179.3
[M+H-H2O]+ 309.19669 170.3
[M+HCOO]- 371.19763 199.2
[M+CH3COO]- 385.21328 212.1
[M+Na-2H]- 347.17410 181.4
[M]+ 326.19888 180.6
[M]- 326.19998 180.6
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.