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 195.9
[M+Na]+ 418.21012 201.9
[M-H]- 394.21362 199.1
[M+NH4]+ 413.25472 206.7
[M+K]+ 434.18406 195.7
[M+H-H2O]+ 378.21816 186.4
[M+HCOO]- 440.21910 210.7
[M+CH3COO]- 454.23475 203.8
[M+Na-2H]- 416.19557 196.8
[M]+ 395.22035 197.2
[M]- 395.22145 197.2
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

No patent data available for this compound.