CID 3076141

1-((1-methylcyclopentyl)amino)-3-(1-naphthalenyloxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC1(CCCC1)NCC(COC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C19H25NO2/c1-19(11-4-5-12-19)20-13-16(21)14-22-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,6-10,16,20-21H,4-5,11-14H2,1H3
InChIKey
QSPHTRKYIDHUDR-UHFFFAOYSA-N
Compound name
1-[(1-methylcyclopentyl)amino]-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.195816 172.6
[M+Na]+ 322.177758 176.5
[M-H]- 298.181264 177.8
[M+NH4]+ 317.222363 191.0
[M+K]+ 338.151698 172.0
[M+H-H2O]+ 282.185800 165.2
[M+HCOO]- 344.186741 191.9
[M+CH3COO]- 358.202391 203.1
[M+Na-2H]- 320.163206 175.6
[M]+ 299.18799142 170.4
[M]- 299.18908858 170.4
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.