CID 6410680

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

Structural Information

Molecular Formula
C30H28Cl2N6O6
SMILES
COC1=C(C=C(C=C1)C2C(C(=O)N2NC3=NN=C(C4=CC=CC=C43)NN5C(C(C5=O)Cl)C6=CC(=C(C=C6)OC)OC)Cl)OC
InChI
InChI=1S/C30H28Cl2N6O6/c1-41-19-11-9-15(13-21(19)43-3)25-23(31)29(39)37(25)35-27-17-7-5-6-8-18(17)28(34-33-27)36-38-26(24(32)30(38)40)16-10-12-20(42-2)22(14-16)44-4/h5-14,23-26H,1-4H3,(H,33,35)(H,34,36)
InChIKey
JUPOBBWHUYHXIF-UHFFFAOYSA-N
Compound name
3-chloro-1-[[4-[[3-chloro-2-(3,4-dimethoxyphenyl)-4-oxoazetidin-1-yl]amino]phthalazin-1-yl]amino]-4-(3,4-dimethoxyphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.1447 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.15198 241.4
[M+Na]+ 661.13392 249.5
[M+NH4]+ 656.17852 238.1
[M+K]+ 677.10786 244.6
[M-H]- 637.13742 243.2
[M+Na-2H]- 659.11937 242.7
[M]+ 638.14415 241.5
[M]- 638.14525 241.5
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.