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]+ 380.258406 196.8
[M+Na]+ 402.240348 195.4
[M-H]- 378.243854 204.7
[M+NH4]+ 397.284953 207.0
[M+K]+ 418.214288 191.8
[M+H-H2O]+ 362.248390 185.8
[M+HCOO]- 424.249331 214.3
[M+CH3COO]- 438.264981 224.2
[M+Na-2H]- 400.225796 195.5
[M]+ 379.25058142 193.7
[M]- 379.25167858 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.