CID 93956

58104-49-7

Structural Information

Molecular Formula
C20H19ClN6O3
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N(CCC#N)CCOCCC#N
InChI
InChI=1S/C20H19ClN6O3/c21-19-15-18(27(28)29)7-8-20(19)25-24-16-3-5-17(6-4-16)26(11-1-9-22)12-14-30-13-2-10-23/h3-8,15H,1-2,11-14H2
InChIKey
FWUINTWYWXWQKA-UHFFFAOYSA-N
Compound name
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-[2-(2-cyanoethoxy)ethyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

426.12073 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12801 213.0
[M+Na]+ 449.10995 221.3
[M+NH4]+ 444.15455 212.5
[M+K]+ 465.08389 210.6
[M-H]- 425.11345 206.4
[M+Na-2H]- 447.09540 212.2
[M]+ 426.12018 211.2
[M]- 426.12128 211.2
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.