CID 494851

Nsc633876

Structural Information

Molecular Formula
C25H32N2O4
SMILES
CC(=O)NC1C(N(C1=O)C(COCC2=CC=CC=C2)C3=CC=CC=C3)COC(C)(C)C
InChI
InChI=1S/C25H32N2O4/c1-18(28)26-23-22(17-31-25(2,3)4)27(24(23)29)21(20-13-9-6-10-14-20)16-30-15-19-11-7-5-8-12-19/h5-14,21-23H,15-17H2,1-4H3,(H,26,28)
InChIKey
BEXWQVIRTMGONE-UHFFFAOYSA-N
Compound name
N-[2-[(2-methylpropan-2-yl)oxymethyl]-4-oxo-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.2362 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.24348 207.5
[M+Na]+ 447.22542 208.7
[M-H]- 423.22892 214.1
[M+NH4]+ 442.27002 208.7
[M+K]+ 463.19936 209.0
[M+H-H2O]+ 407.23346 191.1
[M+HCOO]- 469.23440 223.0
[M+CH3COO]- 483.25005 233.4
[M+Na-2H]- 445.21087 205.9
[M]+ 424.23565 218.8
[M]- 424.23675 218.8
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.