CID 209867

20674-93-5

Structural Information

Molecular Formula
C23H29N3
SMILES
CCCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)C
InChI
InChI=1S/C23H29N3/c1-4-11-25-12-10-23-21(16-25)20-14-17(2)5-8-22(20)26(23)13-9-19-7-6-18(3)24-15-19/h5-8,14-15H,4,9-13,16H2,1-3H3
InChIKey
NKMYFYBRFKUDEM-UHFFFAOYSA-N
Compound name
8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

347.23615 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.24343 190.7
[M+Na]+ 370.22537 199.5
[M-H]- 346.22887 194.9
[M+NH4]+ 365.26997 204.1
[M+K]+ 386.19931 191.5
[M+H-H2O]+ 330.23341 179.7
[M+HCOO]- 392.23435 206.5
[M+CH3COO]- 406.25000 200.0
[M+Na-2H]- 368.21082 191.6
[M]+ 347.23560 192.8
[M]- 347.23670 192.8
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