CID 3088100

Fce 21642

Structural Information

Molecular Formula
C19H22N4
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=CC=NN5C
InChI
InChI=1S/C19H22N4/c1-22-11-13(17-6-7-21-23(17)2)8-15-14-4-3-5-16-19(14)12(10-20-16)9-18(15)22/h3-7,10,13,15,18,20H,8-9,11H2,1-2H3/t13-,15?,18-/m1/s1
InChIKey
BOBRHRIQEWERCH-JGNDPHQUSA-N
Compound name
(6aR,9R)-7-methyl-9-(2-methylpyrazol-3-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

306.18445 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19173 174.3
[M+Na]+ 329.17367 188.8
[M+NH4]+ 324.21827 183.5
[M+K]+ 345.14761 184.0
[M-H]- 305.17717 177.4
[M+Na-2H]- 327.15912 178.1
[M]+ 306.18390 177.3
[M]- 306.18500 177.3
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