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]+ 326.247846 183.0
[M+Na]+ 348.229788 186.0
[M-H]- 324.233294 185.5
[M+NH4]+ 343.274393 199.9
[M+K]+ 364.203728 180.4
[M+H-H2O]+ 308.237830 173.0
[M+HCOO]- 370.238771 192.1
[M+CH3COO]- 384.254421 190.6
[M+Na-2H]- 346.215236 184.1
[M]+ 325.24002142 177.4
[M]- 325.24111858 177.4
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.