CID 3034814

Lilly 53857

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4
InChI
InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3/t14?,15?,17-,19-,21-/m1/s1
InChIKey
JQYLIGHHVGCTPR-LYRPIDSHSA-N
Compound name
3-hydroxybutan-2-yl (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

141
References

35
Patents

384.2413 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 193.8
[M+Na]+ 407.23052 203.9
[M+NH4]+ 402.27512 200.6
[M+K]+ 423.20446 200.5
[M-H]- 383.23402 193.9
[M+Na-2H]- 405.21597 192.7
[M]+ 384.24075 195.0
[M]- 384.24185 195.0
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

No patent data available for this compound.