CID 206162

2-pyrrolidinone, 1,1'-(1,3-phenylenedicarbonyl)bis-

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1CC(=O)N(C1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCC3=O
InChI
InChI=1S/C16H16N2O4/c19-13-6-2-8-17(13)15(21)11-4-1-5-12(10-11)16(22)18-9-3-7-14(18)20/h1,4-5,10H,2-3,6-9H2
InChIKey
AHEGXLOBOVFTHG-UHFFFAOYSA-N
Compound name
1-[3-(2-oxopyrrolidine-1-carbonyl)benzoyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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

No literature data available for this compound.

Patent stripe

patents stripe