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 167.8
[M+Na]+ 340.08232 174.8
[M-H]- 316.08582 173.4
[M+NH4]+ 335.12692 174.1
[M+K]+ 356.05626 168.6
[M+H-H2O]+ 300.09036 159.1
[M+HCOO]- 362.09130 182.7
[M+CH3COO]- 376.10695 206.7
[M+Na-2H]- 338.06777 171.0
[M]+ 317.09255 169.9
[M]- 317.09365 169.9
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.