CID 6410683

1,1'-(1,4-phthalazinediyldiimino)bis(3-chloro-4-(3,5-dichlorophenyl)-2-azetidinone)

Structural Information

Molecular Formula
C26H16Cl6N6O2
SMILES
C1=CC=C2C(=C1)C(=NN=C2NN3C(C(C3=O)Cl)C4=CC(=CC(=C4)Cl)Cl)NN5C(C(C5=O)Cl)C6=CC(=CC(=C6)Cl)Cl
InChI
InChI=1S/C26H16Cl6N6O2/c27-13-5-11(6-14(28)9-13)21-19(31)25(39)37(21)35-23-17-3-1-2-4-18(17)24(34-33-23)36-38-22(20(32)26(38)40)12-7-15(29)10-16(30)8-12/h1-10,19-22H,(H,33,35)(H,34,36)
InChIKey
HWKVFMKNQWANFK-UHFFFAOYSA-N
Compound name
3-chloro-1-[[4-[[3-chloro-2-(3,5-dichlorophenyl)-4-oxoazetidin-1-yl]amino]phthalazin-1-yl]amino]-4-(3,5-dichlorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.9466 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.95388 204.4
[M+Na]+ 676.93582 212.1
[M-H]- 652.93932 204.1
[M+NH4]+ 671.98042 194.4
[M+K]+ 692.90976 212.2
[M+H-H2O]+ 636.94386 184.8
[M+HCOO]- 698.94480 192.0
[M+CH3COO]- 712.96045 205.9
[M+Na-2H]- 674.92127 199.6
[M]+ 653.94605 217.4
[M]- 653.94715 217.4
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.