CID 6436184

Lochnerine

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C/C=C\1/CN2[C@H]3C[C@@H]1[C@H]([C@@H]2CC4=C3NC5=C4C=C(C=C5)OC)CO
InChI
InChI=1S/C20H24N2O2/c1-3-11-9-22-18-8-15-14-6-12(24-2)4-5-17(14)21-20(15)19(22)7-13(11)16(18)10-23/h3-6,13,16,18-19,21,23H,7-10H2,1-2H3/b11-3-/t13-,16+,18-,19-/m0/s1
InChIKey
YTIVOMMYBBBYFH-BOPWJTLDSA-N
Compound name
[(1S,12S,13R,14R,15E)-15-ethylidene-7-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraen-13-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

324.18378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 175.4
[M+Na]+ 347.17300 187.6
[M+NH4]+ 342.21760 185.5
[M+K]+ 363.14694 180.8
[M-H]- 323.17650 174.6
[M+Na-2H]- 345.15845 171.3
[M]+ 324.18323 176.9
[M]- 324.18433 176.9
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