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
3
Annotation Hits

6
References

116
Patents

309.1841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 173.9
[M+Na]+ 332.173318 179.7
[M-H]- 308.176824 174.8
[M+NH4]+ 327.217923 190.0
[M+K]+ 348.147258 173.7
[M+H-H2O]+ 292.181360 165.5
[M+HCOO]- 354.182301 187.5
[M+CH3COO]- 368.197951 182.8
[M+Na-2H]- 330.158766 177.1
[M]+ 309.18355142 172.3
[M]- 309.18464858 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

literature stripe

Patent stripe

patents stripe