CID 6914657

Daporinad

Structural Information

Molecular Formula
C24H29N3O2
SMILES
C1CN(CCC1CCCCNC(=O)/C=C/C2=CN=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
InChIKey
KPBNHDGDUADAGP-VAWYXSNFSA-N
Compound name
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

217
References

543
Patents

391.22598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.23326 199.1
[M+Na]+ 414.21520 210.2
[M+NH4]+ 409.25980 204.6
[M+K]+ 430.18914 201.9
[M-H]- 390.21870 203.5
[M+Na-2H]- 412.20065 206.3
[M]+ 391.22543 201.6
[M]- 391.22653 201.6
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