CID 100974915

P-clibf

Structural Information

Molecular Formula
C23H29ClN2O
SMILES
CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O/c1-18(2)23(27)26(21-10-8-20(24)9-11-21)22-13-16-25(17-14-22)15-12-19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKey
YWHLYGSHOQKCJG-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

384.19684 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20412 195.1
[M+Na]+ 407.18606 208.6
[M+NH4]+ 402.23066 203.4
[M+K]+ 423.16000 199.5
[M-H]- 383.18956 201.9
[M+Na-2H]- 405.17151 203.8
[M]+ 384.19629 199.3
[M]- 384.19739 199.3
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