CID 3052097

Ethanamine, 2-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-n,n-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCN(C)C
InChI
InChI=1S/C19H24N2O2/c1-14-19(23-10-9-21(2)3)17-13-22-12-16(17)18(20-14)11-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3
InChIKey
SCQYFGSDLZCSRE-UHFFFAOYSA-N
Compound name
2-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

312.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.4
[M+Na]+ 335.17300 183.1
[M-H]- 311.17650 184.4
[M+NH4]+ 330.21760 191.7
[M+K]+ 351.14694 180.9
[M+H-H2O]+ 295.18104 167.5
[M+HCOO]- 357.18198 197.9
[M+CH3COO]- 371.19763 213.2
[M+Na-2H]- 333.15845 179.3
[M]+ 312.18323 180.9
[M]- 312.18433 180.9
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

patents stripe