CID 496459

Nsc689619

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCC1C(C(=O)N1C(C)C2=CC=CC=C2)NC(=O)OC
InChI
InChI=1S/C15H20N2O3/c1-4-12-13(16-15(19)20-3)14(18)17(12)10(2)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)
InChIKey
DCKCSFPCQOLPRX-UHFFFAOYSA-N
Compound name
methyl N-[2-ethyl-4-oxo-1-(1-phenylethyl)azetidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 166.6
[M+Na]+ 299.13662 171.0
[M-H]- 275.14012 171.4
[M+NH4]+ 294.18122 174.6
[M+K]+ 315.11056 172.4
[M+H-H2O]+ 259.14466 152.7
[M+HCOO]- 321.14560 185.7
[M+CH3COO]- 335.16125 206.2
[M+Na-2H]- 297.12207 166.6
[M]+ 276.14685 176.4
[M]- 276.14795 176.4
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.