CID 57579

99901-10-7

Structural Information

Molecular Formula
C24H31NO3
SMILES
C1CCCCN(CCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H31NO3/c26-23(28-20-19-25-17-11-3-1-2-4-12-18-25)24(27,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,27H,1-4,11-12,17-20H2
InChIKey
CLCWREDHZPFCFN-UHFFFAOYSA-N
Compound name
2-(azonan-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2304 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 202.7
[M+Na]+ 404.219618 200.8
[M-H]- 380.223124 201.0
[M+NH4]+ 399.264223 201.2
[M+K]+ 420.193558 200.1
[M+H-H2O]+ 364.227660 192.5
[M+HCOO]- 426.228601 201.8
[M+CH3COO]- 440.244251 202.2
[M+Na-2H]- 402.205066 202.8
[M]+ 381.22985142 201.3
[M]- 381.23094858 201.3
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.