CID 3052113

1-pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-n-(1-methylethyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCCNC(C)C
InChI
InChI=1S/C23H32N2O2/c1-17(2)24-12-8-5-9-13-27-23-18(3)25-22(20-15-26-16-21(20)23)14-19-10-6-4-7-11-19/h4,6-7,10-11,17,24H,5,8-9,12-16H2,1-3H3
InChIKey
WHAJKRLSUMHRKE-UHFFFAOYSA-N
Compound name
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.25365 194.9
[M+Na]+ 391.23559 199.2
[M-H]- 367.23909 200.6
[M+NH4]+ 386.28019 207.0
[M+K]+ 407.20953 195.3
[M+H-H2O]+ 351.24363 185.4
[M+HCOO]- 413.24457 213.4
[M+CH3COO]- 427.26022 222.5
[M+Na-2H]- 389.22104 195.2
[M]+ 368.24582 198.8
[M]- 368.24692 198.8
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.