CID 3078405

N-(2-chlorophenyl)-beta-(4-chlorophenyl)-alpha-hydroxy-1-aziridinepropanamide

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C1CN1C(C2=CC=C(C=C2)Cl)C(C(=O)NC3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H16Cl2N2O2/c18-12-7-5-11(6-8-12)15(21-9-10-21)16(22)17(23)20-14-4-2-1-3-13(14)19/h1-8,15-16,22H,9-10H2,(H,20,23)
InChIKey
QIAVHVVACZHYSP-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06615 167.6
[M+Na]+ 373.04809 175.2
[M-H]- 349.05159 173.9
[M+NH4]+ 368.09269 174.8
[M+K]+ 389.02203 168.4
[M+H-H2O]+ 333.05613 160.6
[M+HCOO]- 395.05707 178.7
[M+CH3COO]- 409.07272 212.0
[M+Na-2H]- 371.03354 169.3
[M]+ 350.05832 171.5
[M]- 350.05942 171.5
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.