CID 131879845

50485-23-9

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N5CCCCC5
InChI
InChI=1S/C21H25N3O/c1-23-13-15(21(25)24-8-3-2-4-9-24)10-17-16-6-5-7-18-20(16)14(12-22-18)11-19(17)23/h5-7,10,12,15,19,22H,2-4,8-9,11,13H2,1H3/t15-,19-/m1/s1
InChIKey
URDULHYODQAQTM-DNVCBOLYSA-N
Compound name
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

335.19977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.207046 182.0
[M+Na]+ 358.188988 187.1
[M-H]- 334.192494 183.9
[M+NH4]+ 353.233593 195.3
[M+K]+ 374.162928 179.7
[M+H-H2O]+ 318.197030 171.3
[M+HCOO]- 380.197971 190.3
[M+CH3COO]- 394.213621 189.3
[M+Na-2H]- 356.174436 182.5
[M]+ 335.19922142 176.1
[M]- 335.20031858 176.1
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