CID 91989

Einecs 259-959-0

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 189.1
[M+Na]+ 428.02877 198.4
[M-H]- 404.03227 194.7
[M+NH4]+ 423.07337 200.5
[M+K]+ 444.00271 191.8
[M+H-H2O]+ 388.03681 181.1
[M+HCOO]- 450.03775 203.5
[M+CH3COO]- 464.05340 225.9
[M+Na-2H]- 426.01422 191.5
[M]+ 405.03900 194.1
[M]- 405.04010 194.1
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.