CID 209925

20771-45-3

Structural Information

Molecular Formula
C21H25N3
SMILES
CCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CN=C(C=C4)C
InChI
InChI=1S/C21H25N3/c1-3-23-12-11-21-19(15-23)18-6-4-5-7-20(18)24(21)13-10-17-9-8-16(2)22-14-17/h4-9,14H,3,10-13,15H2,1-2H3
InChIKey
OLVXWUCATGYKSG-UHFFFAOYSA-N
Compound name
2-ethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 180.9
[M+Na]+ 342.19405 189.7
[M-H]- 318.19755 185.1
[M+NH4]+ 337.23865 195.2
[M+K]+ 358.16799 182.2
[M+H-H2O]+ 302.20209 170.1
[M+HCOO]- 364.20303 197.5
[M+CH3COO]- 378.21868 190.8
[M+Na-2H]- 340.17950 183.7
[M]+ 319.20428 181.9
[M]- 319.20538 181.9
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

No patent data available for this compound.