CID 211473

23202-22-4

Structural Information

Molecular Formula
C21H25NO3
SMILES
C1CN(CCOC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO3/c23-21(25-17-14-22-12-7-15-24-16-13-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
LXTYGFRBBFCHJX-UHFFFAOYSA-N
Compound name
2-(1,4-oxazepan-4-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 180.1
[M+Na]+ 362.172658 180.4
[M-H]- 338.176164 187.8
[M+NH4]+ 357.217263 188.6
[M+K]+ 378.146598 182.5
[M+H-H2O]+ 322.180700 170.8
[M+HCOO]- 384.181641 195.2
[M+CH3COO]- 398.197291 209.1
[M+Na-2H]- 360.158106 181.8
[M]+ 339.18289142 174.9
[M]- 339.18398858 174.9
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.