CID 3018354

72616-77-4

Structural Information

Molecular Formula
C18H19Cl2N5O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl)NC(=O)C
InChI
InChI=1S/C18H19Cl2N5O3/c1-4-24(5-2)12-6-7-15(17(8-12)21-11(3)26)22-23-16-9-14(20)18(25(27)28)10-13(16)19/h6-10H,4-5H2,1-3H3,(H,21,26)
InChIKey
SYYKXSDKWNMILD-UHFFFAOYSA-N
Compound name
N-[2-[(2,5-dichloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0865 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09378 203.1
[M+Na]+ 446.07572 208.7
[M-H]- 422.07922 212.5
[M+NH4]+ 441.12032 214.4
[M+K]+ 462.04966 201.2
[M+H-H2O]+ 406.08376 199.4
[M+HCOO]- 468.08470 223.9
[M+CH3COO]- 482.10035 236.2
[M+Na-2H]- 444.06117 205.2
[M]+ 423.08595 209.1
[M]- 423.08705 209.1
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.