CID 6410682

1,1'-(1,4-phthalazinediyldiimino)bis(4-(4-bromophenyl)-3-chloro-2-azetidinone)

Structural Information

Molecular Formula
C26H18Br2Cl2N6O2
SMILES
C1=CC=C2C(=C1)C(=NN=C2NN3C(C(C3=O)Cl)C4=CC=C(C=C4)Br)NN5C(C(C5=O)Cl)C6=CC=C(C=C6)Br
InChI
InChI=1S/C26H18Br2Cl2N6O2/c27-15-9-5-13(6-10-15)21-19(29)25(37)35(21)33-23-17-3-1-2-4-18(17)24(32-31-23)34-36-22(20(30)26(36)38)14-7-11-16(28)12-8-14/h1-12,19-22H,(H,31,33)(H,32,34)
InChIKey
OJHUJFWMZUNRIO-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-1-[[4-[[2-(4-bromophenyl)-3-chloro-4-oxoazetidin-1-yl]amino]phthalazin-1-yl]amino]-3-chloroazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.9235 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.93078 211.0
[M+Na]+ 696.91272 206.3
[M+NH4]+ 691.95732 208.1
[M+K]+ 712.88666 209.9
[M-H]- 672.91622 212.1
[M+Na-2H]- 694.89817 210.1
[M]+ 673.92295 209.1
[M]- 673.92405 209.1
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.