CID 57581

99901-11-8

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC(COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CCCCCCCC3
InChI
InChI=1S/C25H33NO3/c1-21(26-18-12-4-2-3-5-13-19-26)20-29-24(27)25(28,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,21,28H,2-5,12-13,18-20H2,1H3
InChIKey
PDLJXGOEBKWQIA-UHFFFAOYSA-N
Compound name
2-(azonan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 204.0
[M+Na]+ 418.23525 202.1
[M-H]- 394.23875 202.4
[M+NH4]+ 413.27985 202.6
[M+K]+ 434.20919 201.4
[M+H-H2O]+ 378.24329 193.8
[M+HCOO]- 440.24423 203.0
[M+CH3COO]- 454.25988 203.5
[M+Na-2H]- 416.22070 204.0
[M]+ 395.24548 202.6
[M]- 395.24658 202.6
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.