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]+ 313.191056 176.4
[M+Na]+ 335.172998 183.1
[M-H]- 311.176504 184.4
[M+NH4]+ 330.217603 191.7
[M+K]+ 351.146938 180.9
[M+H-H2O]+ 295.181040 167.5
[M+HCOO]- 357.181981 197.9
[M+CH3COO]- 371.197631 213.2
[M+Na-2H]- 333.158446 179.3
[M]+ 312.18323142 180.9
[M]- 312.18432858 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