CID 166455

75198-96-8

Structural Information

Molecular Formula
C20H21N5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)C)C#N)C
InChI
InChI=1S/C20H21N5/c1-5-25(6-2)18-7-8-19(15(4)11-18)23-24-20-16(12-21)9-14(3)10-17(20)13-22/h7-11H,5-6H2,1-4H3
InChIKey
JZTRIZGUGUEXRN-UHFFFAOYSA-N
Compound name
2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-methylbenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

331.1797 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18698 200.4
[M+Na]+ 354.16892 209.4
[M+NH4]+ 349.21352 200.8
[M+K]+ 370.14286 197.1
[M-H]- 330.17242 193.7
[M+Na-2H]- 352.15437 200.5
[M]+ 331.17915 198.6
[M]- 331.18025 198.6
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

patents stripe