CID 3069837

85352-48-3

Structural Information

Molecular Formula
C18H23N3O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CCC(=O)N
InChI
InChI=1S/C18H23N3O/c1-21-10-11(5-6-17(19)22)7-14-13-3-2-4-15-18(13)12(9-20-15)8-16(14)21/h2-4,9,11,14,16,20H,5-8,10H2,1H3,(H2,19,22)/t11-,14?,16-/m1/s1
InChIKey
OUJCZXKRLGXYRN-YTXUZFAGSA-N
Compound name
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 171.2
[M+Na]+ 320.173318 177.7
[M-H]- 296.176824 171.7
[M+NH4]+ 315.217923 187.8
[M+K]+ 336.147258 171.3
[M+H-H2O]+ 280.181360 163.2
[M+HCOO]- 342.182301 184.1
[M+CH3COO]- 356.197951 180.3
[M+Na-2H]- 318.158766 173.4
[M]+ 297.18355142 168.1
[M]- 297.18464858 168.1
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.