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

4
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.7
[M+Na]+ 363.20432 191.0
[M-H]- 339.20782 191.9
[M+NH4]+ 358.24892 199.0
[M+K]+ 379.17826 187.5
[M+H-H2O]+ 323.21236 176.6
[M+HCOO]- 385.21330 204.9
[M+CH3COO]- 399.22895 216.6
[M+Na-2H]- 361.18977 187.1
[M]+ 340.21455 189.0
[M]- 340.21565 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