CID 488953

Chembl316594

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCCN(CCCC)CC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H33NO2/c1-3-5-17-26(18-6-4-2)20-23-19-25(24(27)28-23,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23H,3-6,17-20H2,1-2H3
InChIKey
ZFPMLPQFIBGJRX-UHFFFAOYSA-N
Compound name
5-[(dibutylamino)methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 197.4
[M+Na]+ 402.24035 200.7
[M-H]- 378.24385 207.6
[M+NH4]+ 397.28495 211.4
[M+K]+ 418.21429 197.3
[M+H-H2O]+ 362.24839 188.0
[M+HCOO]- 424.24933 218.4
[M+CH3COO]- 438.26498 224.5
[M+Na-2H]- 400.22580 197.2
[M]+ 379.25058 199.8
[M]- 379.25168 199.8
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.