CID 90555

24610-00-2

Structural Information

Molecular Formula
C24H20N6O2
SMILES
C1=CC=C(C=C1)CCN(CCC#N)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N
InChI
InChI=1S/C24H20N6O2/c25-14-4-15-29(16-13-19-5-2-1-3-6-19)22-9-7-21(8-10-22)27-28-24-12-11-23(30(31)32)17-20(24)18-26/h1-3,5-12,17H,4,13,15-16H2
InChIKey
CWNHPGPSJLVQCK-UHFFFAOYSA-N
Compound name
2-[[4-[2-cyanoethyl(2-phenylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

424.16476 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17204 222.1
[M+Na]+ 447.15398 231.3
[M+NH4]+ 442.19858 221.8
[M+K]+ 463.12792 219.4
[M-H]- 423.15748 217.1
[M+Na-2H]- 445.13943 222.6
[M]+ 424.16421 220.7
[M]- 424.16531 220.7
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.