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 170.6
[M+Na]+ 329.10272 177.1
[M-H]- 305.10622 177.0
[M+NH4]+ 324.14732 179.9
[M+K]+ 345.07666 171.6
[M+H-H2O]+ 289.11076 162.0
[M+HCOO]- 351.11170 183.5
[M+CH3COO]- 365.12735 204.0
[M+Na-2H]- 327.08817 168.7
[M]+ 306.11295 172.2
[M]- 306.11405 172.2
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.