CID 209874

Brn 0937615

Structural Information

Molecular Formula
C24H31N3
SMILES
CC1=NC=C(C=C1)CCN2C3=C(CN(CC3)CCC(C)C)C4=CC=CC=C42
InChI
InChI=1S/C24H31N3/c1-18(2)10-13-26-14-12-24-22(17-26)21-6-4-5-7-23(21)27(24)15-11-20-9-8-19(3)25-16-20/h4-9,16,18H,10-15,17H2,1-3H3
InChIKey
FWZCBODOVYGSOC-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)-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

1
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 194.5
[M+Na]+ 384.24102 201.5
[M-H]- 360.24452 198.2
[M+NH4]+ 379.28562 206.9
[M+K]+ 400.21496 193.9
[M+H-H2O]+ 344.24906 183.3
[M+HCOO]- 406.25000 209.0
[M+CH3COO]- 420.26565 202.9
[M+Na-2H]- 382.22647 194.6
[M]+ 361.25125 195.9
[M]- 361.25235 195.9
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

patents stripe