CID 44453654

Piperundecalidine

Structural Information

Molecular Formula
C23H29NO3
SMILES
C1CCN(CC1)C(=O)/C=C/C=C/CCCC/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C23H29NO3/c25-23(24-16-10-7-11-17-24)13-9-6-4-2-1-3-5-8-12-20-14-15-21-22(18-20)27-19-26-21/h4,6,8-9,12-15,18H,1-3,5,7,10-11,16-17,19H2/b6-4+,12-8+,13-9+
InChIKey
BADLEYLQAILHPV-AZMZBSBOSA-N
Compound name
(2E,4E,10E)-11-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylundeca-2,4,10-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

367.21475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 194.3
[M+Na]+ 390.20397 204.0
[M+NH4]+ 385.24857 200.2
[M+K]+ 406.17791 197.8
[M-H]- 366.20747 198.6
[M+Na-2H]- 388.18942 195.6
[M]+ 367.21420 196.5
[M]- 367.21530 196.5
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