CID 135521396

Nsc664869

Structural Information

Molecular Formula
C29H21Cl2N5O4
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)N/N=C/C3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)O
InChI
InChI=1S/C29H21Cl2N5O4/c30-21-10-13-23(14-11-21)36(29(40)19-6-2-1-3-7-19)28(39)17-27(38)35-32-18-20-16-22(12-15-26(20)37)33-34-25-9-5-4-8-24(25)31/h1-16,18,37H,17H2,(H,35,38)/b32-18+,34-33?
InChIKey
FLWSLQDKSRAEOV-GVIBIYQFSA-N
Compound name
N'-benzoyl-N'-(4-chlorophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.09705 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.10433 236.9
[M+Na]+ 596.08627 240.8
[M-H]- 572.08977 251.7
[M+NH4]+ 591.13087 241.2
[M+K]+ 612.06021 236.3
[M+H-H2O]+ 556.09431 224.9
[M+HCOO]- 618.09525 256.0
[M+CH3COO]- 632.11090 266.6
[M+Na-2H]- 594.07172 237.7
[M]+ 573.09650 243.6
[M]- 573.09760 243.6
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.