CID 71300678

C(sub 5)al

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN1C[C@@H](C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)NC5CCCC5
InChI
InChI=1S/C21H25N3O/c1-24-12-14(21(25)23-15-5-2-3-6-15)9-17-16-7-4-8-18-20(16)13(11-22-18)10-19(17)24/h4,7-9,11,14-15,19,22H,2-3,5-6,10,12H2,1H3,(H,23,25)/t14-,19?/m1/s1
InChIKey
GIUWLXABHBAKDK-MJTSIZKDSA-N
Compound name
(9R)-N-cyclopentyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 180.0
[M+Na]+ 358.18899 191.0
[M+NH4]+ 353.23359 189.0
[M+K]+ 374.16293 187.0
[M-H]- 334.19249 183.7
[M+Na-2H]- 356.17444 182.6
[M]+ 335.19922 182.4
[M]- 335.20032 182.4
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.