CID 494849

Nsc633871

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CC(=O)NC1C(N(C1=O)CC2=CC=CC=C2)COC(C)(C)C
InChI
InChI=1S/C17H24N2O3/c1-12(20)18-15-14(11-22-17(2,3)4)19(16(15)21)10-13-8-6-5-7-9-13/h5-9,14-15H,10-11H2,1-4H3,(H,18,20)
InChIKey
XVJCWZGEIQHKQO-UHFFFAOYSA-N
Compound name
N-[1-benzyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxoazetidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 175.1
[M+Na]+ 327.16790 179.4
[M-H]- 303.17140 179.9
[M+NH4]+ 322.21250 182.2
[M+K]+ 343.14184 180.3
[M+H-H2O]+ 287.17594 161.6
[M+HCOO]- 349.17688 193.1
[M+CH3COO]- 363.19253 211.5
[M+Na-2H]- 325.15335 176.2
[M]+ 304.17813 185.8
[M]- 304.17923 185.8
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.