CID 3088104

Fce 21643

Structural Information

Molecular Formula
C18H20N4
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=CC=NN5
InChI
InChI=1S/C18H20N4/c1-22-10-12(15-5-6-20-21-15)7-14-13-3-2-4-16-18(13)11(9-19-16)8-17(14)22/h2-6,9,12,14,17,19H,7-8,10H2,1H3,(H,20,21)/t12-,14?,17-/m1/s1
InChIKey
NRLZOXBFNXPDKJ-ZYFOBHMOSA-N
Compound name
(6aR,9R)-7-methyl-9-(1H-pyrazol-5-yl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.1688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17608 169.6
[M+Na]+ 315.15802 183.4
[M+NH4]+ 310.20262 178.7
[M+K]+ 331.13196 179.0
[M-H]- 291.16152 172.2
[M+Na-2H]- 313.14347 173.3
[M]+ 292.16825 172.3
[M]- 292.16935 172.3
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