CID 208220

31802-13-8

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.133196	165.6
[M+Na]+	302.115138	170.4
[M-H]-	278.118644	173.4
[M+NH4]+	297.159743	180.8
[M+K]+	318.089078	166.3
[M+H-H2O]+	262.123180	156.6
[M+HCOO]-	324.124121	185.4
[M+CH3COO]-	338.139771	197.7
[M+Na-2H]-	300.100586	166.1
[M]+	279.12537142	162.3
[M]-	279.12646858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe