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]+ 369.25365 195.1
[M+Na]+ 391.23559 200.3
[M-H]- 367.23909 201.2
[M+NH4]+ 386.28019 207.6
[M+K]+ 407.20953 196.5
[M+H-H2O]+ 351.24363 186.3
[M+HCOO]- 413.24457 213.1
[M+CH3COO]- 427.26022 221.5
[M+Na-2H]- 389.22104 197.6
[M]+ 368.24582 199.2
[M]- 368.24692 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