CID 3077949

Brn 4758745

Structural Information

Molecular Formula
C16H20ClNO3
SMILES
CCCCCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H20ClNO3/c1-2-3-4-11-21-15-10-9-14(19)18(15)16(20)12-5-7-13(17)8-6-12/h5-8,15H,2-4,9-11H2,1H3
InChIKey
NJWDIISBVSAXEV-UHFFFAOYSA-N
Compound name
1-(4-chlorobenzoyl)-5-pentoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.11316 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12044 171.1
[M+Na]+ 332.10238 182.7
[M+NH4]+ 327.14698 178.0
[M+K]+ 348.07632 177.4
[M-H]- 308.10588 172.8
[M+Na-2H]- 330.08783 175.6
[M]+ 309.11261 173.3
[M]- 309.11371 173.3
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

patents stripe