CID 12074778

3-bromo-1-(diphenylmethyl)-4,4-dimethoxypyrrolidin-2-one

Structural Information

Molecular Formula
C19H20BrNO3
SMILES
COC1(CN(C(=O)C1Br)C(C2=CC=CC=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C19H20BrNO3/c1-23-19(24-2)13-21(18(22)17(19)20)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13H2,1-2H3
InChIKey
VDEFXAWITXOCLI-UHFFFAOYSA-N
Compound name
1-benzhydryl-3-bromo-4,4-dimethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06265 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06993 184.0
[M+Na]+ 412.05187 193.7
[M-H]- 388.05537 194.7
[M+NH4]+ 407.09647 201.4
[M+K]+ 428.02581 182.9
[M+H-H2O]+ 372.05991 182.4
[M+HCOO]- 434.06085 202.2
[M+CH3COO]- 448.07650 213.3
[M+Na-2H]- 410.03732 186.0
[M]+ 389.06210 203.8
[M]- 389.06320 203.8
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

No patent data available for this compound.