CID 33957

2-phenyl-2-(1-pyrrolidinyl)-acetophenone hydrochloride

Structural Information

Molecular Formula
C18H19NO
SMILES
C1CCN(C1)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2
InChIKey
GQCCTZGWWWUYLS-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.14667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 163.3
[M+Na]+ 288.13589 166.9
[M-H]- 264.13939 170.6
[M+NH4]+ 283.18049 178.9
[M+K]+ 304.10983 162.8
[M+H-H2O]+ 248.14393 154.1
[M+HCOO]- 310.14487 182.7
[M+CH3COO]- 324.16052 173.8
[M+Na-2H]- 286.12134 164.4
[M]+ 265.14612 159.0
[M]- 265.14722 159.0
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