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]+ 336.207046 180.1
[M+Na]+ 358.188988 186.2
[M-H]- 334.192494 184.2
[M+NH4]+ 353.233593 193.7
[M+K]+ 374.162928 179.5
[M+H-H2O]+ 318.197030 170.4
[M+HCOO]- 380.197971 197.0
[M+CH3COO]- 394.213621 189.2
[M+Na-2H]- 356.174436 183.5
[M]+ 335.19922142 178.9
[M]- 335.20031858 178.9
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

patents stripe