CID 3071163

87443-96-7

Structural Information

Molecular Formula
C23H19BrClN3O3
SMILES
C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)(CNC4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C23H19BrClN3O3/c24-16-10-12-17(13-11-16)26-14-23(25)20(15-6-2-1-3-7-15)28(22(23)31)27-21(30)18-8-4-5-9-19(18)29/h1-13,20,26,29H,14H2,(H,27,30)
InChIKey
JJXVFSHJGDLZHA-UHFFFAOYSA-N
Compound name
N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-phenylazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.02982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.03710 198.3
[M+Na]+ 522.01904 206.2
[M-H]- 498.02254 209.3
[M+NH4]+ 517.06364 203.0
[M+K]+ 537.99298 195.5
[M+H-H2O]+ 482.02708 189.2
[M+HCOO]- 544.02802 211.3
[M+CH3COO]- 558.04367 235.8
[M+Na-2H]- 520.00449 201.4
[M]+ 499.02927 224.7
[M]- 499.03037 224.7
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.