CID 108740

55619-17-5

Structural Information

Molecular Formula
C20H20Cl2N4O6
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C20H20Cl2N4O6/c1-13(27)31-9-7-25(8-10-32-14(2)28)16-5-3-15(4-6-16)23-24-20-18(21)11-17(26(29)30)12-19(20)22/h3-6,11-12H,7-10H2,1-2H3
InChIKey
FUTQQMRXKBWFIZ-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.076 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.08328 212.5
[M+Na]+ 505.06522 216.7
[M-H]- 481.06872 221.6
[M+NH4]+ 500.10982 221.2
[M+K]+ 521.03916 210.7
[M+H-H2O]+ 465.07326 208.4
[M+HCOO]- 527.07420 231.7
[M+CH3COO]- 541.08985 241.2
[M+Na-2H]- 503.05067 213.9
[M]+ 482.07545 222.2
[M]- 482.07655 222.2
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.