CID 488958

Chembl97474

Structural Information

Molecular Formula
C22H23NO5
SMILES
CCN(CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(=O)OC
InChI
InChI=1S/C22H23NO5/c1-3-23(19(24)20(25)27-2)15-18-14-22(21(26)28-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3
InChIKey
ZWRFAWMDTDCJEH-UHFFFAOYSA-N
Compound name
methyl 2-[ethyl-[(5-oxo-4,4-diphenyloxolan-2-yl)methyl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 191.2
[M+Na]+ 404.14684 195.6
[M-H]- 380.15034 202.6
[M+NH4]+ 399.19144 204.9
[M+K]+ 420.12078 195.0
[M+H-H2O]+ 364.15488 182.9
[M+HCOO]- 426.15582 212.4
[M+CH3COO]- 440.17147 220.4
[M+Na-2H]- 402.13229 191.1
[M]+ 381.15707 194.2
[M]- 381.15817 194.2
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.