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]+ 307.16524 173.0
[M+Na]+ 329.14718 177.4
[M-H]- 305.15068 177.9
[M+NH4]+ 324.19178 180.0
[M+K]+ 345.12112 179.3
[M+H-H2O]+ 289.15522 159.4
[M+HCOO]- 351.15616 191.4
[M+CH3COO]- 365.17181 210.0
[M+Na-2H]- 327.13263 174.7
[M]+ 306.15741 184.6
[M]- 306.15851 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.