CID 208220

Pyrrolidine, 1-(o-benzoylbenzoyl)-

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c20-17(14-8-2-1-3-9-14)15-10-4-5-11-16(15)18(21)19-12-6-7-13-19/h1-5,8-11H,6-7,12-13H2
InChIKey
YHOKBLMHGVDBNX-UHFFFAOYSA-N
Compound name
phenyl-[2-(pyrrolidine-1-carbonyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

279.12592 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 165.6
[M+Na]+ 302.11514 170.4
[M-H]- 278.11864 173.4
[M+NH4]+ 297.15974 180.8
[M+K]+ 318.08908 166.3
[M+H-H2O]+ 262.12318 156.6
[M+HCOO]- 324.12412 185.4
[M+CH3COO]- 338.13977 197.7
[M+Na-2H]- 300.10059 166.1
[M]+ 279.12537 162.3
[M]- 279.12647 162.3
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