CID 3061723

Indolo(4,3-fg)quinoline, 2-cyclopenten-1-one

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=C2C[C@@H]3C(C[C@H](CN3C)COC4=CC(=O)CC4)C5=C2C(=CC=C5)N1
InChI
InChI=1S/C22H26N2O2/c1-13-18-10-21-19(17-4-3-5-20(23-13)22(17)18)8-14(11-24(21)2)12-26-16-7-6-15(25)9-16/h3-5,9,14,19,21,23H,6-8,10-12H2,1-2H3/t14-,19?,21-/m1/s1
InChIKey
LOCGMUCCTDQHKW-ZEMWXQFSSA-N
Compound name
3-[[(6aR,9R)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methoxy]cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 185.2
[M+Na]+ 373.18865 198.0
[M+NH4]+ 368.23325 194.2
[M+K]+ 389.16259 193.4
[M-H]- 349.19215 188.5
[M+Na-2H]- 371.17410 187.1
[M]+ 350.19888 187.9
[M]- 350.19998 187.9
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