CID 3046356

1h-pyrido(4,3-b)indole, 2,3,4,4a-alpha,5,9b-alpha-hexahydro-2-phenethyl-5-propionyl-

Structural Information

Molecular Formula
C22H26N2O
SMILES
CCC(=O)N1[C@@H]2CCN(C[C@@H]2C3=CC=CC=C31)CCC4=CC=CC=C4
InChI
InChI=1S/C22H26N2O/c1-2-22(25)24-20-11-7-6-10-18(20)19-16-23(15-13-21(19)24)14-12-17-8-4-3-5-9-17/h3-11,19,21H,2,12-16H2,1H3/t19-,21-/m1/s1
InChIKey
KIEDKQOTIJJPES-TZIWHRDSSA-N
Compound name
1-[(4aR,9bS)-2-(2-phenylethyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.0
[M+Na]+ 357.19372 197.4
[M+NH4]+ 352.23832 192.9
[M+K]+ 373.16766 190.0
[M-H]- 333.19722 188.3
[M+Na-2H]- 355.17917 189.3
[M]+ 334.20395 187.1
[M]- 334.20505 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.