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

117
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.