CID 494852

Nsc633877

Structural Information

Molecular Formula
C25H33NO3
SMILES
CC1(C(N(C1=O)C(COCC2=CC=CC=C2)C3=CC=CC=C3)COC(C)(C)C)C
InChI
InChI=1S/C25H33NO3/c1-24(2,3)29-18-22-25(4,5)23(27)26(22)21(20-14-10-7-11-15-20)17-28-16-19-12-8-6-9-13-19/h6-15,21-22H,16-18H2,1-5H3
InChIKey
HKLHRSZQBXCJBJ-UHFFFAOYSA-N
Compound name
3,3-dimethyl-4-[(2-methylpropan-2-yl)oxymethyl]-1-(1-phenyl-2-phenylmethoxyethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 200.4
[M+Na]+ 418.23525 204.3
[M-H]- 394.23875 207.6
[M+NH4]+ 413.27985 205.8
[M+K]+ 434.20919 203.7
[M+H-H2O]+ 378.24329 186.0
[M+HCOO]- 440.24423 216.0
[M+CH3COO]- 454.25988 226.4
[M+Na-2H]- 416.22070 200.7
[M]+ 395.24548 213.0
[M]- 395.24658 213.0
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.