CID 77975

4297-28-3

Structural Information

Molecular Formula
C19H17ClN6O2
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C19H17ClN6O2/c1-14-12-15(25(10-2-8-21)11-3-9-22)4-6-18(14)23-24-19-7-5-16(26(27)28)13-17(19)20/h4-7,12-13H,2-3,10-11H2,1H3
InChIKey
PEXQZCKTQRCCHD-UHFFFAOYSA-N
Compound name
3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.11014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11742 207.6
[M+Na]+ 419.09936 216.5
[M+NH4]+ 414.14396 207.5
[M+K]+ 435.07330 205.8
[M-H]- 395.10286 201.3
[M+Na-2H]- 417.08481 207.2
[M]+ 396.10959 206.0
[M]- 396.11069 206.0
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.