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 234.8
[M+Na]+ 661.13392 239.8
[M-H]- 637.13742 242.2
[M+NH4]+ 656.17852 221.4
[M+K]+ 677.10786 241.4
[M+H-H2O]+ 621.14196 209.8
[M+HCOO]- 683.14290 238.0
[M+CH3COO]- 697.15855 273.8
[M+Na-2H]- 659.11937 231.1
[M]+ 638.14415 258.0
[M]- 638.14525 258.0
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.