CID 169713

35779-43-2

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCN(CC)C(=O)[C@H]1CN[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1
InChI
InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1
InChIKey
SUXLVXOMPKZBOV-CXAGYDPISA-N
Compound name
(6aR,9R)-N,N-diethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

113
Patents

309.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 173.9
[M+Na]+ 332.17332 179.7
[M-H]- 308.17682 174.8
[M+NH4]+ 327.21792 190.0
[M+K]+ 348.14726 173.7
[M+H-H2O]+ 292.18136 165.5
[M+HCOO]- 354.18230 187.5
[M+CH3COO]- 368.19795 182.8
[M+Na-2H]- 330.15877 177.1
[M]+ 309.18355 172.3
[M]- 309.18465 172.3
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.