CID 3052127

1-((4-benzyl-6-methyl-1,3-dihydrofuro(3,4-c)pyridin-7-yl)oxy)-3-isopropylamino-2-propanol

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCC(CNC(C)C)O
InChI
InChI=1S/C21H28N2O3/c1-14(2)22-10-17(24)11-26-21-15(3)23-20(18-12-25-13-19(18)21)9-16-7-5-4-6-8-16/h4-8,14,17,22,24H,9-13H2,1-3H3
InChIKey
NKBCYBOGAWCENW-UHFFFAOYSA-N
Compound name
1-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.21 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 188.8
[M+Na]+ 379.19922 193.1
[M-H]- 355.20272 193.7
[M+NH4]+ 374.24382 200.6
[M+K]+ 395.17316 190.1
[M+H-H2O]+ 339.20726 180.1
[M+HCOO]- 401.20820 205.7
[M+CH3COO]- 415.22385 217.3
[M+Na-2H]- 377.18467 188.8
[M]+ 356.20945 191.1
[M]- 356.21055 191.1
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.