CID 20841698

Chembl3230533

Structural Information

Molecular Formula
C15H19N3
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)N
InChI
InChI=1S/C15H19N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,7,10,12,14,17H,5-6,8,16H2,1H3/t10-,12-,14-/m1/s1
InChIKey
KGUBZNRUCSWDAU-MPKXVKKWSA-N
Compound name
(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

241.1579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.165176 155.0
[M+Na]+ 264.147118 163.3
[M-H]- 240.150624 156.1
[M+NH4]+ 259.191723 174.3
[M+K]+ 280.121058 156.8
[M+H-H2O]+ 224.155160 147.4
[M+HCOO]- 286.156101 169.7
[M+CH3COO]- 300.171751 165.7
[M+Na-2H]- 262.132566 159.8
[M]+ 241.15735142 150.9
[M]- 241.15844858 150.9
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