CID 90555

Einecs 246-352-0

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 214.8
[M+Na]+ 447.15398 220.8
[M-H]- 423.15748 220.3
[M+NH4]+ 442.19858 219.5
[M+K]+ 463.12792 211.3
[M+H-H2O]+ 407.16202 197.7
[M+HCOO]- 469.16296 229.2
[M+CH3COO]- 483.17861 249.3
[M+Na-2H]- 445.13943 214.1
[M]+ 424.16421 205.9
[M]- 424.16531 205.9
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.