CID 21149604

84255-17-4

Structural Information

Molecular Formula
C19H18N6O2
SMILES
CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C
InChI
InChI=1S/C19H18N6O2/c1-3-24(10-4-9-20)16-5-7-18(14(2)11-16)22-23-19-8-6-17(25(26)27)12-15(19)13-21/h5-8,11-12H,3-4,10H2,1-2H3
InChIKey
FZBZYULVSAHGAU-UHFFFAOYSA-N
Compound name
2-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1491 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15638 205.8
[M+Na]+ 385.13832 214.3
[M+NH4]+ 380.18292 205.5
[M+K]+ 401.11226 203.9
[M-H]- 361.14182 199.4
[M+Na-2H]- 383.12377 205.2
[M]+ 362.14855 203.9
[M]- 362.14965 203.9
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.