CID 3088106

Fce 21640

Structural Information

Molecular Formula
C24H24N4
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=NN(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C24H24N4/c1-27-15-17(21-10-11-28(26-21)18-6-3-2-4-7-18)12-20-19-8-5-9-22-24(19)16(14-25-22)13-23(20)27/h2-11,14,17,20,23,25H,12-13,15H2,1H3/t17-,20?,23-/m1/s1
InChIKey
QJOHKAINHDDQNF-LRRFZDQKSA-N
Compound name
(6aR,9R)-7-methyl-9-(1-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 190.7
[M+Na]+ 391.18932 207.1
[M+NH4]+ 386.23392 200.2
[M+K]+ 407.16326 200.8
[M-H]- 367.19282 196.5
[M+Na-2H]- 389.17477 197.1
[M]+ 368.19955 194.9
[M]- 368.20065 194.9
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