CID 579923

(-)-pyrifolidine

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5OC)OC)C(=O)C
InChI
InChI=1S/C23H32N2O3/c1-5-22-10-6-13-24-14-12-23(21(22)24)16-7-8-17(27-3)20(28-4)19(16)25(15(2)26)18(23)9-11-22/h7-8,18,21H,5-6,9-14H2,1-4H3
InChIKey
BTDUGGGJFMJNOB-UHFFFAOYSA-N
Compound name
1-(12-ethyl-5,6-dimethoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

384.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 195.2
[M+Na]+ 407.23052 204.3
[M+NH4]+ 402.27512 206.3
[M+K]+ 423.20446 197.3
[M-H]- 383.23402 196.3
[M+Na-2H]- 405.21597 195.9
[M]+ 384.24075 197.0
[M]- 384.24185 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe