CID 60262

Sergolexole maleate

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC4CCC(CC4)OC)C5=C2C1=CC=C5
InChI
InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3/t18-,19?,20?,22-,24-/m1/s1
InChIKey
RJBJIKXTJIZONR-FTNAIZGWSA-N
Compound name
(4-methoxycyclohexyl) (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
1
Annotation Hits

14
References

381
Patents

424.27258 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 205.6
[M+Na]+ 447.26180 216.9
[M+NH4]+ 442.30640 213.5
[M+K]+ 463.23574 211.2
[M-H]- 423.26530 208.9
[M+Na-2H]- 445.24725 206.1
[M]+ 424.27203 208.0
[M]- 424.27313 208.0
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

patents stripe