CID 209930

Brn 0723277

Structural Information

Molecular Formula
C27H37N3O
SMILES
CCCCCCCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)OC
InChI
InChI=1S/C27H37N3O/c1-4-5-6-7-8-15-29-16-14-27-25(20-29)24-18-23(31-3)11-12-26(24)30(27)17-13-22-10-9-21(2)28-19-22/h9-12,18-19H,4-8,13-17,20H2,1-3H3
InChIKey
YVTLOAPSCLUSRQ-UHFFFAOYSA-N
Compound name
2-heptyl-8-methoxy-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

419.29367 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.30095 210.9
[M+Na]+ 442.28289 225.8
[M+NH4]+ 437.32749 218.4
[M+K]+ 458.25683 216.6
[M-H]- 418.28639 215.1
[M+Na-2H]- 440.26834 215.8
[M]+ 419.29312 214.4
[M]- 419.29422 214.4
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.