CID 209928

20771-48-6

Structural Information

Molecular Formula
C26H35N3
SMILES
CCCCCCCN1CCC2=C(C1)C3=CC=CC=C3N2CCC4=CN=C(C=C4)C
InChI
InChI=1S/C26H35N3/c1-3-4-5-6-9-16-28-17-15-26-24(20-28)23-10-7-8-11-25(23)29(26)18-14-22-13-12-21(2)27-19-22/h7-8,10-13,19H,3-6,9,14-18,20H2,1-2H3
InChIKey
GNCQSFWCQCDUAE-UHFFFAOYSA-N
Compound name
2-heptyl-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

389.2831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.29038 203.3
[M+Na]+ 412.27232 209.7
[M-H]- 388.27582 206.4
[M+NH4]+ 407.31692 214.6
[M+K]+ 428.24626 201.1
[M+H-H2O]+ 372.28036 191.4
[M+HCOO]- 434.28130 218.0
[M+CH3COO]- 448.29695 210.9
[M+Na-2H]- 410.25777 203.3
[M]+ 389.28255 205.8
[M]- 389.28365 205.8
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

No patent data available for this compound.