CID 91989

56046-83-4

Structural Information

Molecular Formula
C17H13Cl2N5O3
SMILES
CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C17H13Cl2N5O3/c1-8(25)15(24-23-13-6-9(18)2-4-11(13)19)16(26)20-10-3-5-12-14(7-10)22-17(27)21-12/h2-7,15H,1H3,(H,20,26)(H2,21,22,27)
InChIKey
UTLKRMVLIRAYFN-UHFFFAOYSA-N
Compound name
2-[(2,5-dichlorophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

405.03955 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.04683 187.2
[M+Na]+ 428.02877 199.5
[M+NH4]+ 423.07337 192.3
[M+K]+ 444.00271 195.2
[M-H]- 404.03227 189.8
[M+Na-2H]- 426.01422 193.0
[M]+ 405.03900 189.8
[M]- 405.04010 189.8
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.