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-methyl-3-pyridinyl)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]+ 320.212106 180.9
[M+Na]+ 342.194048 189.7
[M-H]- 318.197554 185.1
[M+NH4]+ 337.238653 195.2
[M+K]+ 358.167988 182.2
[M+H-H2O]+ 302.202090 170.1
[M+HCOO]- 364.203031 197.5
[M+CH3COO]- 378.218681 190.8
[M+Na-2H]- 340.179496 183.7
[M]+ 319.20428142 181.9
[M]- 319.20537858 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.