CID 3088105

Fce 21639

Structural Information

Molecular Formula
C24H24N4
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=CC=NN5C6=CC=CC=C6
InChI
InChI=1S/C24H24N4/c1-27-15-17(22-10-11-26-28(22)18-6-3-2-4-7-18)12-20-19-8-5-9-21-24(19)16(14-25-21)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3/t17-,20?,23-/m1/s1
InChIKey
GMSDPGKDEIKUIM-LRRFZDQKSA-N
Compound name
(6aR,9R)-7-methyl-9-(2-phenylpyrazol-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

368.2001 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20738 189.5
[M+Na]+ 391.18932 197.5
[M-H]- 367.19282 194.9
[M+NH4]+ 386.23392 202.0
[M+K]+ 407.16326 188.2
[M+H-H2O]+ 351.19736 177.8
[M+HCOO]- 413.19830 201.3
[M+CH3COO]- 427.21395 197.7
[M+Na-2H]- 389.17477 189.1
[M]+ 368.19955 186.9
[M]- 368.20065 186.9
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