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-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

419.29367 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.300946 211.7
[M+Na]+ 442.282888 218.3
[M-H]- 418.286394 215.0
[M+NH4]+ 437.327493 221.9
[M+K]+ 458.256828 210.2
[M+H-H2O]+ 402.290930 199.7
[M+HCOO]- 464.291871 226.1
[M+CH3COO]- 478.307521 218.9
[M+Na-2H]- 440.268336 210.5
[M]+ 419.29312142 216.3
[M]- 419.29421858 216.3
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.