CID 494534

Nsc626499

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)NC1C(N(C1=O)CC2=CC=CC=C2)OC
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)17-12-13(19)18(14(12)21-4)10-11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3,(H,17,20)
InChIKey
LKHXUOQOKJBDHW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzyl-2-methoxy-4-oxoazetidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.165236 173.0
[M+Na]+ 329.147178 177.4
[M-H]- 305.150684 177.9
[M+NH4]+ 324.191783 180.0
[M+K]+ 345.121118 179.3
[M+H-H2O]+ 289.155220 159.4
[M+HCOO]- 351.156161 191.4
[M+CH3COO]- 365.171811 210.0
[M+Na-2H]- 327.132626 174.7
[M]+ 306.15741142 184.6
[M]- 306.15850858 184.6
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.