CID 5493223

21030-81-9

Structural Information

Molecular Formula
C24H27NO4
SMILES
CN1CC[C@]23CC(=O)CC[C@]2([C@H]1CC4=C3C(=C(C=C4)OC)OC5=CC=CC=C5)O
InChI
InChI=1S/C24H27NO4/c1-25-13-12-23-15-17(26)10-11-24(23,27)20(25)14-16-8-9-19(28-2)22(21(16)23)29-18-6-4-3-5-7-18/h3-9,20,27H,10-15H2,1-2H3/t20-,23-,24-/m1/s1
InChIKey
OPKPRGDJBUTJEZ-AGILITTLSA-N
Compound name
(1R,9R,10S)-10-hydroxy-4-methoxy-17-methyl-3-phenoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 196.7
[M+Na]+ 416.18322 210.4
[M+NH4]+ 411.22782 208.1
[M+K]+ 432.15716 198.0
[M-H]- 392.18672 201.7
[M+Na-2H]- 414.16867 203.7
[M]+ 393.19345 200.5
[M]- 393.19455 200.5
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

No patent data available for this compound.