CID 23005

Benzoin, deoxy-alpha-(bis(2-hydroxyethyl))amino-

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)Cl)N(CCO)CCO
InChI
InChI=1S/C18H20ClNO3/c19-16-8-6-15(7-9-16)18(23)17(14-4-2-1-3-5-14)20(10-12-21)11-13-22/h1-9,17,21-22H,10-13H2
InChIKey
VPXROAJLHFFDEF-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)amino]-1-(4-chlorophenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11316 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 177.8
[M+Na]+ 356.10238 189.9
[M+NH4]+ 351.14698 184.8
[M+K]+ 372.07632 183.1
[M-H]- 332.10588 181.2
[M+Na-2H]- 354.08783 184.9
[M]+ 333.11261 180.7
[M]- 333.11371 180.7
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.