CID 5361887

Conorfone

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC[C@H]1CC(=O)[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)OC)O2)N(CC4)CC6CC6
InChI
InChI=1S/C23H29NO3/c1-3-14-11-17(25)22-23-8-9-24(12-13-4-5-13)16(19(14)23)10-15-6-7-18(26-2)21(27-22)20(15)23/h6-7,13-14,16,19,22H,3-5,8-12H2,1-2H3/t14-,16+,19-,22-,23-/m0/s1
InChIKey
JMPUQJQXECRLKY-IKADHJCRSA-N
Compound name
(4R,4aR,5S,7aR,12bS)-3-(cyclopropylmethyl)-5-ethyl-9-methoxy-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

716
Patents

367.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 189.3
[M+Na]+ 390.20397 196.4
[M-H]- 366.20747 196.0
[M+NH4]+ 385.24857 201.8
[M+K]+ 406.17791 191.5
[M+H-H2O]+ 350.21201 180.2
[M+HCOO]- 412.21295 196.6
[M+CH3COO]- 426.22860 197.4
[M+Na-2H]- 388.18942 189.4
[M]+ 367.21420 192.2
[M]- 367.21530 192.2
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.