CID 82568

10347-09-8

Structural Information

Molecular Formula
C20H20Cl2N4O8
SMILES
COC(=O)OCCN(CCOC(=O)OC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C20H20Cl2N4O8/c1-31-19(27)33-9-7-25(8-10-34-20(28)32-2)14-5-3-13(4-6-14)23-24-18-16(21)11-15(26(29)30)12-17(18)22/h3-6,11-12H,7-10H2,1-2H3
InChIKey
GQTXEMGGHLUCQS-UHFFFAOYSA-N
Compound name
2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)anilino]ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0658 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.07308 215.7
[M+Na]+ 537.05502 219.4
[M-H]- 513.05852 225.0
[M+NH4]+ 532.09962 223.0
[M+K]+ 553.02896 215.0
[M+H-H2O]+ 497.06306 211.3
[M+HCOO]- 559.06400 235.3
[M+CH3COO]- 573.07965 244.1
[M+Na-2H]- 535.04047 218.1
[M]+ 514.06525 227.8
[M]- 514.06635 227.8
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.