CID 160943

Benzoyl-1,4-dipyrrolidinone

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1CC(=O)N(C1)C(=O)C2=CC=C(C=C2)C(=O)N3CCCC3=O
InChI
InChI=1S/C16H16N2O4/c19-13-3-1-9-17(13)15(21)11-5-7-12(8-6-11)16(22)18-10-2-4-14(18)20/h5-8H,1-4,9-10H2
InChIKey
GGAVJLYKYINLJT-UHFFFAOYSA-N
Compound name
1-[4-(2-oxopyrrolidine-1-carbonyl)benzoyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

300.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 168.6
[M+Na]+ 323.100218 174.1
[M-H]- 299.103724 175.7
[M+NH4]+ 318.144823 183.7
[M+K]+ 339.074158 171.3
[M+H-H2O]+ 283.108260 160.3
[M+HCOO]- 345.109201 186.4
[M+CH3COO]- 359.124851 199.8
[M+Na-2H]- 321.085666 164.4
[M]+ 300.11045142 165.4
[M]- 300.11154858 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe