CID 200730

Brn 0704103

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC(C)C(=O)NC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C20H27N3O/c1-12(2)20(24)22-9-13-7-16-15-5-4-6-17-19(15)14(10-21-17)8-18(16)23(3)11-13/h4-6,10,12-13,16,18,21H,7-9,11H2,1-3H3,(H,22,24)/t13-,16?,18+/m0/s1
InChIKey
BDSVPQAZFFARGB-HDUJFRAXSA-N
Compound name
N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 179.3
[M+Na]+ 348.20464 190.1
[M+NH4]+ 343.24924 187.5
[M+K]+ 364.17858 184.8
[M-H]- 324.20814 181.0
[M+Na-2H]- 346.19009 180.3
[M]+ 325.21487 181.1
[M]- 325.21597 181.1
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

No patent data available for this compound.