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]+ 382.23768 202.7
[M+Na]+ 404.21962 200.8
[M-H]- 380.22312 201.0
[M+NH4]+ 399.26422 201.2
[M+K]+ 420.19356 200.1
[M+H-H2O]+ 364.22766 192.5
[M+HCOO]- 426.22860 201.8
[M+CH3COO]- 440.24425 202.2
[M+Na-2H]- 402.20507 202.8
[M]+ 381.22985 201.3
[M]- 381.23095 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.