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]+ 246.14887 156.7
[M+Na]+ 268.13081 162.8
[M-H]- 244.13431 163.7
[M+NH4]+ 263.17541 174.1
[M+K]+ 284.10475 160.8
[M+H-H2O]+ 228.13885 149.3
[M+HCOO]- 290.13979 182.1
[M+CH3COO]- 304.15544 194.9
[M+Na-2H]- 266.11626 162.2
[M]+ 245.14104 160.0
[M]- 245.14214 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.