CID 205005

Lg 246

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
C1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C19H21ClN2O2/c20-16-6-4-14(5-7-16)19(24)21-17-8-9-18(23)15(12-17)13-22-10-2-1-3-11-22/h4-9,12,23H,1-3,10-11,13H2,(H,21,24)
InChIKey
ZSZGPTGRAMXVLC-UHFFFAOYSA-N
Compound name
4-chloro-N-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12915 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 180.8
[M+Na]+ 367.11837 185.6
[M-H]- 343.12187 186.7
[M+NH4]+ 362.16297 192.0
[M+K]+ 383.09231 178.9
[M+H-H2O]+ 327.12641 171.6
[M+HCOO]- 389.12735 193.7
[M+CH3COO]- 403.14300 209.8
[M+Na-2H]- 365.10382 182.0
[M]+ 344.12860 177.7
[M]- 344.12970 177.7
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

No patent data available for this compound.