CID 207584

1,5-dimethyl-3,3-diphenyl-2-pyrrolidone

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1CC(C(=O)N1C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO/c1-14-13-18(17(20)19(14)2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKey
XAVFJHLZSOZVHD-UHFFFAOYSA-N
Compound name
1,5-dimethyl-3,3-diphenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

10
Patents

265.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 162.0
[M+Na]+ 288.13589 170.2
[M-H]- 264.13939 170.8
[M+NH4]+ 283.18049 180.9
[M+K]+ 304.10983 165.2
[M+H-H2O]+ 248.14393 153.6
[M+HCOO]- 310.14487 183.5
[M+CH3COO]- 324.16052 174.4
[M+Na-2H]- 286.12134 164.5
[M]+ 265.14612 160.4
[M]- 265.14722 160.4
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