CID 3078404

Beta-(1-aziridinyl)-n-(4-chlorophenyl)-alpha-hydroxy-3-pyridinepropanamide

Structural Information

Molecular Formula
C16H16ClN3O2
SMILES
C1CN1C(C2=CN=CC=C2)C(C(=O)NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H16ClN3O2/c17-12-3-5-13(6-4-12)19-16(22)15(21)14(20-8-9-20)11-2-1-7-18-10-11/h1-7,10,14-15,21H,8-9H2,(H,19,22)
InChIKey
PPVQHRKKASUGRA-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(4-chlorophenyl)-2-hydroxy-3-pyridin-3-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0931 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10038 172.1
[M+Na]+ 340.08232 186.2
[M+NH4]+ 335.12692 179.5
[M+K]+ 356.05626 181.3
[M-H]- 316.08582 182.5
[M+Na-2H]- 338.06777 182.6
[M]+ 317.09255 178.3
[M]- 317.09365 178.3
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.