CID 3066743

111050-88-5

Structural Information

Molecular Formula
C24H31N3O3
SMILES
CC1CC2=C(C(N1CC(CNC)O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C24
InChI
InChI=1S/C24H31N3O3/c1-15-11-19-18-7-5-6-8-20(18)26-23(19)24(27(15)14-17(28)13-25-2)16-9-10-21(29-3)22(12-16)30-4/h5-10,12,15,17,24-26,28H,11,13-14H2,1-4H3
InChIKey
AXHWISQSDYDARH-UHFFFAOYSA-N
Compound name
1-[1-(3,4-dimethoxyphenyl)-3-methyl-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

409.23654 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.24382 202.9
[M+Na]+ 432.22576 215.3
[M+NH4]+ 427.27036 209.3
[M+K]+ 448.19970 209.7
[M-H]- 408.22926 206.2
[M+Na-2H]- 430.21121 206.3
[M]+ 409.23599 205.5
[M]- 409.23709 205.5
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.