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]+ 332.14118 178.4
[M+Na]+ 354.12312 184.5
[M-H]- 330.12662 183.3
[M+NH4]+ 349.16772 190.2
[M+K]+ 370.09706 177.1
[M+H-H2O]+ 314.13116 169.7
[M+HCOO]- 376.13210 189.5
[M+CH3COO]- 390.14775 187.3
[M+Na-2H]- 352.10857 178.9
[M]+ 331.13335 175.7
[M]- 331.13445 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.