CID 3052123

1-butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-n-(1,1-dimethylethyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNC(C)(C)C
InChI
InChI=1S/C23H32N2O2/c1-17-22(27-13-9-8-12-24-23(2,3)4)20-16-26-15-19(20)21(25-17)14-18-10-6-5-7-11-18/h5-7,10-11,24H,8-9,12-16H2,1-4H3
InChIKey
KCUDIVFYNDOJRR-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 195.1
[M+Na]+ 391.235588 200.3
[M-H]- 367.239094 201.2
[M+NH4]+ 386.280193 207.6
[M+K]+ 407.209528 196.5
[M+H-H2O]+ 351.243630 186.3
[M+HCOO]- 413.244571 213.1
[M+CH3COO]- 427.260221 221.5
[M+Na-2H]- 389.221036 197.6
[M]+ 368.24582142 199.2
[M]- 368.24691858 199.2
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