CID 3087792

Alpha-aziridinyl-beta(p-chlorobenzoyl)propionic acid anilide

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C18H17ClN2O2/c19-14-8-6-13(7-9-14)17(22)12-16(21-10-11-21)18(23)20-15-4-2-1-3-5-15/h1-9,16H,10-12H2,(H,20,23)
InChIKey
PQTARHFGIQAUPR-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10515 175.2
[M+Na]+ 351.08709 189.7
[M+NH4]+ 346.13169 183.2
[M+K]+ 367.06103 183.8
[M-H]- 327.09059 186.6
[M+Na-2H]- 349.07254 186.2
[M]+ 328.09732 181.8
[M]- 328.09842 181.8
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.