CID 5492986

Brn 0762352

Structural Information

Molecular Formula
C19H25N3O
SMILES
C[C@H]([C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C)NC(=O)C
InChI
InChI=1S/C19H25N3O/c1-11(21-12(2)23)14-7-16-15-5-4-6-17-19(15)13(9-20-17)8-18(16)22(3)10-14/h4-6,9,11,14,16,18,20H,7-8,10H2,1-3H3,(H,21,23)/t11-,14-,16?,18-/m1/s1
InChIKey
WDQSJGDAELMXJW-QTLUUVLJSA-N
Compound name
N-[(1R)-1-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 174.8
[M+Na]+ 334.18899 185.9
[M+NH4]+ 329.23359 183.2
[M+K]+ 350.16293 180.8
[M-H]- 310.19249 176.5
[M+Na-2H]- 332.17444 176.1
[M]+ 311.19922 176.7
[M]- 311.20032 176.7
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.