CID 32589

24671-21-4

Structural Information

Molecular Formula
C23H29ClN2O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C23H29ClN2O2/c1-25(2)21-11-5-18(6-12-21)22(27)4-3-15-26-16-13-23(28,14-17-26)19-7-9-20(24)10-8-19/h5-12,28H,3-4,13-17H2,1-2H3
InChIKey
KNIHPCIOQUKGMN-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-[4-(dimethylamino)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.19174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19902 197.3
[M+Na]+ 423.18096 201.3
[M-H]- 399.18446 204.2
[M+NH4]+ 418.22556 208.7
[M+K]+ 439.15490 195.6
[M+H-H2O]+ 383.18900 187.6
[M+HCOO]- 445.18994 209.4
[M+CH3COO]- 459.20559 224.9
[M+Na-2H]- 421.16641 196.7
[M]+ 400.19119 197.1
[M]- 400.19229 197.1
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