CID 3087796

Alpha-(2-(4-chlorophenyl)-2-oxoethyl)-n-(4-ethoxyphenyl)-1-aziridineacetamide

Structural Information

Molecular Formula
C20H21ClN2O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(CC(=O)C2=CC=C(C=C2)Cl)N3CC3
InChI
InChI=1S/C20H21ClN2O3/c1-2-26-17-9-7-16(8-10-17)22-20(25)18(23-11-12-23)13-19(24)14-3-5-15(21)6-4-14/h3-10,18H,2,11-13H2,1H3,(H,22,25)
InChIKey
DCIVHTFEVOIFLS-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-(4-ethoxyphenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12408 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13136 182.2
[M+Na]+ 395.11330 189.0
[M-H]- 371.11680 190.3
[M+NH4]+ 390.15790 188.5
[M+K]+ 411.08724 183.1
[M+H-H2O]+ 355.12134 173.6
[M+HCOO]- 417.12228 198.8
[M+CH3COO]- 431.13793 220.0
[M+Na-2H]- 393.09875 183.1
[M]+ 372.12353 188.2
[M]- 372.12463 188.2
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.