CID 3066739

Brn 5776609

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC1CC2=C(C(N1CC3CO3)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C25
InChI
InChI=1S/C23H26N2O3/c1-14-10-18-17-6-4-5-7-19(17)24-22(18)23(25(14)12-16-13-28-16)15-8-9-20(26-2)21(11-15)27-3/h4-9,11,14,16,23-24H,10,12-13H2,1-3H3
InChIKey
XPDFHRHIAGXKSC-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-3-methyl-2-(oxiran-2-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.8
[M+Na]+ 401.18356 211.0
[M+NH4]+ 396.22816 202.6
[M+K]+ 417.15750 205.5
[M-H]- 377.18706 207.3
[M+Na-2H]- 399.16901 201.7
[M]+ 378.19379 201.5
[M]- 378.19489 201.5
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.