CID 209873

20675-00-7

Structural Information

Molecular Formula
C24H31N3
SMILES
CCC(C)N1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)C
InChI
InChI=1S/C24H31N3/c1-5-19(4)26-12-11-24-22(16-26)21-14-17(2)6-9-23(21)27(24)13-10-20-8-7-18(3)25-15-20/h6-9,14-15,19H,5,10-13,16H2,1-4H3
InChIKey
SNZSORFLOYWLPF-UHFFFAOYSA-N
Compound name
2-butan-2-yl-8-methyl-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

13
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 193.4
[M+Na]+ 384.24102 209.2
[M+NH4]+ 379.28562 202.0
[M+K]+ 400.21496 201.0
[M-H]- 360.24452 198.1
[M+Na-2H]- 382.22647 199.4
[M]+ 361.25125 197.2
[M]- 361.25235 197.2
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