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]+ 300.19582 172.6
[M+Na]+ 322.17776 176.5
[M-H]- 298.18126 177.8
[M+NH4]+ 317.22236 191.0
[M+K]+ 338.15170 172.0
[M+H-H2O]+ 282.18580 165.2
[M+HCOO]- 344.18674 191.9
[M+CH3COO]- 358.20239 203.1
[M+Na-2H]- 320.16321 175.6
[M]+ 299.18799 170.4
[M]- 299.18909 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.