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 183.0
[M+Na]+ 348.22979 186.0
[M-H]- 324.23329 185.5
[M+NH4]+ 343.27439 199.9
[M+K]+ 364.20373 180.4
[M+H-H2O]+ 308.23783 173.0
[M+HCOO]- 370.23877 192.1
[M+CH3COO]- 384.25442 190.6
[M+Na-2H]- 346.21524 184.1
[M]+ 325.24002 177.4
[M]- 325.24112 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.