CID 3088103

116979-31-8

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=NOC=C5
InChI
InChI=1S/C18H19N3O/c1-21-10-12(15-5-6-22-20-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)21/h2-6,9,12,14,17,19H,7-8,10H2,1H3/t12-,14?,17-/m1/s1
InChIKey
QUGQNUBWNFKOCK-ZYFOBHMOSA-N
Compound name
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.1528 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 167.1
[M+Na]+ 316.142018 176.0
[M-H]- 292.145524 171.4
[M+NH4]+ 311.186623 183.3
[M+K]+ 332.115958 170.3
[M+H-H2O]+ 276.150060 158.4
[M+HCOO]- 338.151001 180.5
[M+CH3COO]- 352.166651 177.6
[M+Na-2H]- 314.127466 169.4
[M]+ 293.15225142 166.3
[M]- 293.15334858 166.3
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

patents stripe