CID 5486047

63690-43-7

Structural Information

Molecular Formula
C22H31NO
SMILES
CC(=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OC)C
InChI
InChI=1S/C22H31NO/c1-16(2)9-12-23-13-11-22-10-5-4-6-19(22)21(23)14-17-7-8-18(24-3)15-20(17)22/h7-9,15,19,21H,4-6,10-14H2,1-3H3/t19-,21+,22+/m0/s1
InChIKey
PARACAMIHFMORL-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-4-methoxy-17-(3-methylbut-2-enyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 184.2
[M+Na]+ 348.22979 196.2
[M+NH4]+ 343.27439 195.4
[M+K]+ 364.20373 184.9
[M-H]- 324.23329 188.1
[M+Na-2H]- 346.21524 188.2
[M]+ 325.24002 187.2
[M]- 325.24112 187.2
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.