CID 204535

16566-74-8

Structural Information

Molecular Formula
C21H25N3
SMILES
CCCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CC=NC=C4
InChI
InChI=1S/C21H25N3/c1-2-13-23-14-10-21-19(16-23)18-5-3-4-6-20(18)24(21)15-9-17-7-11-22-12-8-17/h3-8,11-12H,2,9-10,13-16H2,1H3
InChIKey
VSKCOHCUZXDNBP-UHFFFAOYSA-N
Compound name
2-propyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.20483 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 179.8
[M+Na]+ 342.19405 195.9
[M+NH4]+ 337.23865 189.0
[M+K]+ 358.16799 187.2
[M-H]- 318.19755 184.6
[M+Na-2H]- 340.17950 187.5
[M]+ 319.20428 183.7
[M]- 319.20538 183.7
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