CID 3052125

2-butanol, 4-((4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)butyl)amino)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C24H34N2O3
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNCCC(C)(C)O
InChI
InChI=1S/C24H34N2O3/c1-18-23(29-14-8-7-12-25-13-11-24(2,3)27)21-17-28-16-20(21)22(26-18)15-19-9-5-4-6-10-19/h4-6,9-10,25,27H,7-8,11-17H2,1-3H3
InChIKey
TVWZRABQHZJLPB-UHFFFAOYSA-N
Compound name
4-[4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]butylamino]-2-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25696 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 201.8
[M+Na]+ 421.24618 205.7
[M-H]- 397.24968 206.3
[M+NH4]+ 416.29078 212.1
[M+K]+ 437.22012 201.6
[M+H-H2O]+ 381.25422 192.9
[M+HCOO]- 443.25516 218.0
[M+CH3COO]- 457.27081 224.9
[M+Na-2H]- 419.23163 203.7
[M]+ 398.25641 205.9
[M]- 398.25751 205.9
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

No patent data available for this compound.