CID 12304966

478-99-9

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCNC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C18H21N3O/c1-3-19-18(22)12-7-14-13-5-4-6-15-17(13)11(9-20-15)8-16(14)21(2)10-12/h4-7,9,12,16,20H,3,8,10H2,1-2H3,(H,19,22)/t12-,16-/m1/s1
InChIKey
VEBWTGYUIBTVNR-MLGOLLRUSA-N
Compound name
(6aR,9R)-N-ethyl-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

2
References

131
Patents

295.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 169.8
[M+Na]+ 318.15768 177.4
[M-H]- 294.16118 171.3
[M+NH4]+ 313.20228 186.9
[M+K]+ 334.13162 171.1
[M+H-H2O]+ 278.16572 161.7
[M+HCOO]- 340.16666 184.8
[M+CH3COO]- 354.18231 179.7
[M+Na-2H]- 316.14313 174.0
[M]+ 295.16791 169.0
[M]- 295.16901 169.0
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