CID 3087496

Brn 4716857

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN(C)CCOC1=CC=CC=C1C2C3=C(CCN2)C4=CC=CC=C4N3
InChI
InChI=1S/C21H25N3O/c1-24(2)13-14-25-19-10-6-4-8-17(19)20-21-16(11-12-22-20)15-7-3-5-9-18(15)23-21/h3-10,20,22-23H,11-14H2,1-2H3
InChIKey
IJPBDQKLNMYKGB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.0
[M+Na]+ 358.18899 195.5
[M+NH4]+ 353.23359 190.5
[M+K]+ 374.16293 188.7
[M-H]- 334.19249 186.7
[M+Na-2H]- 356.17444 188.5
[M]+ 335.19922 185.2
[M]- 335.20032 185.2
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.