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 178.7
[M+Na]+ 358.18899 183.9
[M-H]- 334.19249 182.9
[M+NH4]+ 353.23359 195.3
[M+K]+ 374.16293 177.1
[M+H-H2O]+ 318.19703 170.2
[M+HCOO]- 380.19797 192.0
[M+CH3COO]- 394.21362 187.4
[M+Na-2H]- 356.17444 178.5
[M]+ 335.19922 174.4
[M]- 335.20032 174.4
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.