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]+ 500.037096 198.3
[M+Na]+ 522.019038 206.2
[M-H]- 498.022544 209.3
[M+NH4]+ 517.063643 203.0
[M+K]+ 537.992978 195.5
[M+H-H2O]+ 482.027080 189.2
[M+HCOO]- 544.028021 211.3
[M+CH3COO]- 558.043671 235.8
[M+Na-2H]- 520.004486 201.4
[M]+ 499.02927142 224.7
[M]- 499.03036858 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.