CID 51368

Einecs 275-721-9

Structural Information

Molecular Formula
C17H17Cl2N5O4
SMILES
CC(CNC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)O
InChI
InChI=1S/C17H17Cl2N5O4/c1-9(25)8-20-15-7-16(21-10(2)26)17(6-13(15)19)23-22-14-4-3-11(24(27)28)5-12(14)18/h3-7,9,20,25H,8H2,1-2H3,(H,21,26)
InChIKey
ZUPIQBGINDIKCE-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(2-hydroxypropylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.06577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.07305 198.4
[M+Na]+ 448.05499 203.4
[M-H]- 424.05849 205.4
[M+NH4]+ 443.09959 208.2
[M+K]+ 464.02893 195.3
[M+H-H2O]+ 408.06303 195.6
[M+HCOO]- 470.06397 217.1
[M+CH3COO]- 484.07962 230.7
[M+Na-2H]- 446.04044 200.8
[M]+ 425.06522 201.9
[M]- 425.06632 201.9
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.