CID 357700

Nsc617217

Structural Information

Molecular Formula
C25H26N2O3
SMILES
C1C(C(=O)N1C(COCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)N
InChI
InChI=1S/C25H26N2O3/c26-23-15-27(25(23)28)24(18-29-16-19-7-3-1-4-8-19)21-11-13-22(14-12-21)30-17-20-9-5-2-6-10-20/h1-14,23-24H,15-18,26H2
InChIKey
QEAQBHUXFWHKFZ-UHFFFAOYSA-N
Compound name
3-amino-1-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 196.8
[M+Na]+ 425.18356 199.4
[M-H]- 401.18706 205.8
[M+NH4]+ 420.22816 198.2
[M+K]+ 441.15750 197.5
[M+H-H2O]+ 385.19160 178.9
[M+HCOO]- 447.19254 215.2
[M+CH3COO]- 461.20819 227.7
[M+Na-2H]- 423.16901 197.0
[M]+ 402.19379 204.9
[M]- 402.19489 204.9
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.