CID 3065518

108260-29-3

Structural Information

Molecular Formula
C16H19ClN2O2
SMILES
C1CCN(C1)C(=O)C(CC(=O)C2=CC=C(C=C2)Cl)N3CC3
InChI
InChI=1S/C16H19ClN2O2/c17-13-5-3-12(4-6-13)15(20)11-14(18-9-10-18)16(21)19-7-1-2-8-19/h3-6,14H,1-2,7-11H2
InChIKey
NSNYVWLUWSUDIV-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-1-pyrrolidin-1-ylbutane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12078 170.1
[M+Na]+ 329.10272 182.4
[M+NH4]+ 324.14732 177.7
[M+K]+ 345.07666 179.4
[M-H]- 305.10622 179.3
[M+Na-2H]- 327.08817 178.1
[M]+ 306.11295 175.5
[M]- 306.11405 175.5
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.