CID 204007

15565-24-9

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
C1CN(CCC1C2=CC=C(C=C2)Cl)CCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H22ClNO2/c20-17-4-2-15(3-5-17)16-8-11-21(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16,22-23H,7-12H2
InChIKey
ACQDTADHVBZARB-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 178.4
[M+Na]+ 354.123118 184.5
[M-H]- 330.126624 183.3
[M+NH4]+ 349.167723 190.2
[M+K]+ 370.097058 177.1
[M+H-H2O]+ 314.131160 169.7
[M+HCOO]- 376.132101 189.5
[M+CH3COO]- 390.147751 187.3
[M+Na-2H]- 352.108566 178.9
[M]+ 331.13335142 175.7
[M]- 331.13444858 175.7
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.