CID 166455

Einecs 278-104-2

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 188.4
[M+Na]+ 354.16892 197.4
[M-H]- 330.17242 194.8
[M+NH4]+ 349.21352 197.9
[M+K]+ 370.14286 192.9
[M+H-H2O]+ 314.17696 170.7
[M+HCOO]- 376.17790 203.6
[M+CH3COO]- 390.19355 245.3
[M+Na-2H]- 352.15437 187.3
[M]+ 331.17915 182.6
[M]- 331.18025 182.6
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