CID 58183

N-(3-(o-methoxyphenyl)propyl)furfurylamine hydrochloride

Structural Information

Molecular Formula
C15H19NO2
SMILES
COC1=CC=CC=C1CCCNCC2=CC=CO2
InChI
InChI=1S/C15H19NO2/c1-17-15-9-3-2-6-13(15)7-4-10-16-12-14-8-5-11-18-14/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3
InChIKey
QHWVTKQDPXZXOG-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 156.7
[M+Na]+ 268.130808 162.8
[M-H]- 244.134314 163.7
[M+NH4]+ 263.175413 174.1
[M+K]+ 284.104748 160.8
[M+H-H2O]+ 228.138850 149.3
[M+HCOO]- 290.139791 182.1
[M+CH3COO]- 304.155441 194.9
[M+Na-2H]- 266.116256 162.2
[M]+ 245.14104142 160.0
[M]- 245.14213858 160.0
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.