CID 3050693

66928-83-4

Structural Information

Molecular Formula
C22H27NO3
SMILES
CN1CCCCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO3/c1-23-16-10-4-9-15-20(23)17-26-21(24)22(25,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,20,25H,4,9-10,15-17H2,1H3
InChIKey
WDKWTDOLPMRMMC-UHFFFAOYSA-N
Compound name
(1-methylazepan-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.206376 184.8
[M+Na]+ 376.188318 185.7
[M-H]- 352.191824 191.2
[M+NH4]+ 371.232923 193.9
[M+K]+ 392.162258 186.3
[M+H-H2O]+ 336.196360 176.3
[M+HCOO]- 398.197301 198.6
[M+CH3COO]- 412.212951 210.1
[M+Na-2H]- 374.173766 186.4
[M]+ 353.19855142 178.2
[M]- 353.19964858 178.2
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.