CID 373557

Nsc650010

Structural Information

Molecular Formula
C18H16BrClN2O4
SMILES
COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)Br)O
InChI
InChI=1S/C18H16BrClN2O4/c1-26-13-9-11(8-12(19)17(13)24)16-15(20)18(25)22(16)21-14(23)7-10-5-3-2-4-6-10/h2-6,8-9,15-16,24H,7H2,1H3,(H,21,23)
InChIKey
KYUYQEKFSYROPZ-UHFFFAOYSA-N
Compound name
N-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.9982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.00548 179.5
[M+Na]+ 460.98742 189.3
[M-H]- 436.99092 188.5
[M+NH4]+ 456.03202 185.9
[M+K]+ 476.96136 179.3
[M+H-H2O]+ 420.99546 171.7
[M+HCOO]- 482.99640 192.2
[M+CH3COO]- 497.01205 225.0
[M+Na-2H]- 458.97287 180.9
[M]+ 437.99765 208.6
[M]- 437.99875 208.6
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.