CID 3019058

82457-20-3

Structural Information

Molecular Formula
C17H16Cl2N6O6
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])Cl)NCCOC
InChI
InChI=1S/C17H16Cl2N6O6/c1-9(26)21-14-8-13(20-3-4-31-2)11(18)7-15(14)22-23-17-12(19)5-10(24(27)28)6-16(17)25(29)30/h5-8,20H,3-4H2,1-2H3,(H,21,26)
InChIKey
IEGIWVASZVOXOQ-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-5-(2-methoxyethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.05084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.05812 209.9
[M+Na]+ 493.04006 212.9
[M-H]- 469.04356 217.1
[M+NH4]+ 488.08466 216.8
[M+K]+ 509.01400 202.2
[M+H-H2O]+ 453.04810 210.3
[M+HCOO]- 515.04904 230.2
[M+CH3COO]- 529.06469 234.0
[M+Na-2H]- 491.02551 214.5
[M]+ 470.05029 213.6
[M]- 470.05139 213.6
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.