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 201.5
[M+Na]+ 432.22576 207.8
[M-H]- 408.22926 204.8
[M+NH4]+ 427.27036 212.0
[M+K]+ 448.19970 201.6
[M+H-H2O]+ 392.23380 192.1
[M+HCOO]- 454.23474 215.9
[M+CH3COO]- 468.25039 227.4
[M+Na-2H]- 430.21121 201.1
[M]+ 409.23599 203.5
[M]- 409.23709 203.5
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.