CID 3065012

Brn 5779821

Structural Information

Molecular Formula
C28H39N3O2
SMILES
CCCN(CCC)CCN1C(CC2=C(C1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C24)C
InChI
InChI=1S/C28H39N3O2/c1-6-14-30(15-7-2)16-17-31-20(3)18-23-22-10-8-9-11-24(22)29-27(23)28(31)21-12-13-25(32-4)26(19-21)33-5/h8-13,19-20,28-29H,6-7,14-18H2,1-5H3
InChIKey
BXOBHUGRPCMTKB-UHFFFAOYSA-N
Compound name
N-[2-[1-(3,4-dimethoxyphenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.30423 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.31151 217.3
[M+Na]+ 472.29345 230.4
[M+NH4]+ 467.33805 224.3
[M+K]+ 488.26739 222.8
[M-H]- 448.29695 222.0
[M+Na-2H]- 470.27890 221.3
[M]+ 449.30368 220.6
[M]- 449.30478 220.6
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.