CID 173247

74110-29-5

Structural Information

Molecular Formula
C20H19Cl2N5O4
SMILES
CC(CN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)OC(=O)C
InChI
InChI=1S/C20H19Cl2N5O4/c1-13(31-14(2)28)12-26(9-3-8-23)16-6-4-15(5-7-16)24-25-20-18(21)10-17(27(29)30)11-19(20)22/h4-7,10-11,13H,3,9,12H2,1-2H3
InChIKey
VBCYEBODOBFAPI-UHFFFAOYSA-N
Compound name
1-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.08142 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.08870 203.1
[M+Na]+ 486.07064 214.5
[M+NH4]+ 481.11524 205.5
[M+K]+ 502.04458 206.7
[M-H]- 462.07414 201.5
[M+Na-2H]- 484.05609 206.3
[M]+ 463.08087 203.8
[M]- 463.08197 203.8
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.