CID 3052107

1-propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-n-(1-methylethyl)-, dihdyrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCNC(C)C
InChI
InChI=1S/C21H28N2O2/c1-15(2)22-10-7-11-25-21-16(3)23-20(18-13-24-14-19(18)21)12-17-8-5-4-6-9-17/h4-6,8-9,15,22H,7,10-14H2,1-3H3
InChIKey
ZRHXQLVJVCBBAJ-UHFFFAOYSA-N
Compound name
3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.222376 185.7
[M+Na]+ 363.204318 191.0
[M-H]- 339.207824 191.9
[M+NH4]+ 358.248923 199.0
[M+K]+ 379.178258 187.5
[M+H-H2O]+ 323.212360 176.6
[M+HCOO]- 385.213301 204.9
[M+CH3COO]- 399.228951 216.6
[M+Na-2H]- 361.189766 187.1
[M]+ 340.21455142 189.0
[M]- 340.21564858 189.0
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

patents stripe