CID 30669

21505-34-0

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCCN(CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C25H33NO2/c1-2-18-26(23-16-10-5-11-17-23)19-20-28-25(27)24(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-4,6-9,12-15,23-24H,2,5,10-11,16-20H2,1H3
InChIKey
LNXXYKIYUVESET-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(propyl)amino]ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 196.8
[M+Na]+ 402.24035 195.4
[M-H]- 378.24385 204.7
[M+NH4]+ 397.28495 207.0
[M+K]+ 418.21429 191.8
[M+H-H2O]+ 362.24839 185.8
[M+HCOO]- 424.24933 214.3
[M+CH3COO]- 438.26498 224.2
[M+Na-2H]- 400.22580 195.5
[M]+ 379.25058 193.7
[M]- 379.25168 193.7
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.