CID 3066741

111050-85-2

Structural Information

Molecular Formula
C23H29N3O3
SMILES
CNCC(CN1CCC2=C(C1C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C24)O
InChI
InChI=1S/C23H29N3O3/c1-24-13-16(27)14-26-11-10-18-17-6-4-5-7-19(17)25-22(18)23(26)15-8-9-20(28-2)21(12-15)29-3/h4-9,12,16,23-25,27H,10-11,13-14H2,1-3H3
InChIKey
CSGKMGCBTWWWIK-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dimethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.22818 198.0
[M+Na]+ 418.21012 210.2
[M+NH4]+ 413.25472 204.6
[M+K]+ 434.18406 204.8
[M-H]- 394.21362 201.3
[M+Na-2H]- 416.19557 201.9
[M]+ 395.22035 200.5
[M]- 395.22145 200.5
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.