CID 198250

42605-21-0

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)O
InChI
InChI=1S/C19H23ClN2O2/c1-3-22(4-2)13-18(23)21-17-11-10-15(20)12-16(17)19(24)14-8-6-5-7-9-14/h5-12,19,24H,3-4,13H2,1-2H3,(H,21,23)
InChIKey
MPIZHXYXPMULTR-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1448 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 183.4
[M+Na]+ 369.13402 188.1
[M-H]- 345.13752 189.5
[M+NH4]+ 364.17862 196.7
[M+K]+ 385.10796 183.4
[M+H-H2O]+ 329.14206 175.6
[M+HCOO]- 391.14300 201.3
[M+CH3COO]- 405.15865 218.1
[M+Na-2H]- 367.11947 184.0
[M]+ 346.14425 186.3
[M]- 346.14535 186.3
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.