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 194.3
[M+Na]+ 401.18356 205.0
[M-H]- 377.18706 203.0
[M+NH4]+ 396.22816 201.2
[M+K]+ 417.15750 198.7
[M+H-H2O]+ 361.19160 185.1
[M+HCOO]- 423.19254 209.8
[M+CH3COO]- 437.20819 203.7
[M+Na-2H]- 399.16901 195.1
[M]+ 378.19379 200.2
[M]- 378.19489 200.2
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.