CID 45177

Digammacaine

Structural Information

Molecular Formula
C21H26N2O
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c24-21(19-12-6-2-7-13-19)22-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
InChIKey
LFWBLDXRNPQFIF-UHFFFAOYSA-N
Compound name
N-(1-phenyl-3-piperidin-1-ylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

322.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 181.6
[M+Na]+ 345.19372 193.7
[M+NH4]+ 340.23832 189.7
[M+K]+ 361.16766 185.1
[M-H]- 321.19722 188.0
[M+Na-2H]- 343.17917 190.9
[M]+ 322.20395 185.0
[M]- 322.20505 185.0
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

patents stripe