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 180.7
[M+Na]+ 696.91272 188.4
[M-H]- 672.91622 189.4
[M+NH4]+ 691.95732 176.4
[M+K]+ 712.88666 178.5
[M+H-H2O]+ 656.92076 175.3
[M+HCOO]- 718.92170 182.7
[M+CH3COO]- 732.93735 187.9
[M+Na-2H]- 694.89817 183.4
[M]+ 673.92295 222.6
[M]- 673.92405 222.6
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.