CID 209871

20674-98-0

Structural Information

Molecular Formula
C24H31N3
SMILES
CC1=CC2=C(C=C1)N(C3=C2CN(CC3)CC(C)C)CCC4=CN=C(C=C4)C
InChI
InChI=1S/C24H31N3/c1-17(2)15-26-11-10-24-22(16-26)21-13-18(3)5-8-23(21)27(24)12-9-20-7-6-19(4)25-14-20/h5-8,13-14,17H,9-12,15-16H2,1-4H3
InChIKey
KNMOCSZJXJVVTK-UHFFFAOYSA-N
Compound name
8-methyl-2-(2-methylpropyl)-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

361.2518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 195.1
[M+Na]+ 384.24102 203.1
[M-H]- 360.24452 199.2
[M+NH4]+ 379.28562 207.9
[M+K]+ 400.21496 195.5
[M+H-H2O]+ 344.24906 184.2
[M+HCOO]- 406.25000 209.6
[M+CH3COO]- 420.26565 203.9
[M+Na-2H]- 382.22647 194.5
[M]+ 361.25125 196.9
[M]- 361.25235 196.9
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.