CID 209869

20674-95-7

Structural Information

Molecular Formula
C24H31N3
SMILES
CCCCN1CCC2=C(C1)C3=C(N2CCC4=CN=C(C=C4)C)C=CC(=C3)C
InChI
InChI=1S/C24H31N3/c1-4-5-12-26-13-11-24-22(17-26)21-15-18(2)6-9-23(21)27(24)14-10-20-8-7-19(3)25-16-20/h6-9,15-16H,4-5,10-14,17H2,1-3H3
InChIKey
YWXATECJURLASS-UHFFFAOYSA-N
Compound name
2-butyl-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

17
Patents

361.2518 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.25908 195.2
[M+Na]+ 384.24102 203.5
[M-H]- 360.24452 199.2
[M+NH4]+ 379.28562 208.0
[M+K]+ 400.21496 195.3
[M+H-H2O]+ 344.24906 184.0
[M+HCOO]- 406.25000 210.6
[M+CH3COO]- 420.26565 204.1
[M+Na-2H]- 382.22647 195.6
[M]+ 361.25125 197.6
[M]- 361.25235 197.6
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