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 197.4
[M-H]- 383.18956 202.6
[M+NH4]+ 402.23066 205.5
[M+K]+ 423.16000 191.9
[M+H-H2O]+ 367.19410 184.6
[M+HCOO]- 429.19504 207.3
[M+CH3COO]- 443.21069 224.7
[M+Na-2H]- 405.17151 193.2
[M]+ 384.19629 193.9
[M]- 384.19739 193.9
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