CID 113030

2,6-dichloro-4-nitro-2'-methyl-4'-(n-ethyl-n-(2''-succinimidoethyl)amino)azobenzene

Structural Information

Molecular Formula
C21H21Cl2N5O4
SMILES
CCN(CCN1C(=O)CCC1=O)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C
InChI
InChI=1S/C21H21Cl2N5O4/c1-3-26(8-9-27-19(29)6-7-20(27)30)14-4-5-18(13(2)10-14)24-25-21-16(22)11-15(28(31)32)12-17(21)23/h4-5,10-12H,3,6-9H2,1-2H3
InChIKey
CVUMVJRUIDLKHS-UHFFFAOYSA-N
Compound name
1-[2-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.09705 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.10433 218.4
[M+Na]+ 500.08627 224.0
[M-H]- 476.08977 229.5
[M+NH4]+ 495.13087 227.8
[M+K]+ 516.06021 215.3
[M+H-H2O]+ 460.09431 213.0
[M+HCOO]- 522.09525 236.1
[M+CH3COO]- 536.11090 242.6
[M+Na-2H]- 498.07172 217.6
[M]+ 477.09650 223.7
[M]- 477.09760 223.7
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.