CID 394667

Nsc698269

Structural Information

Molecular Formula
C21H16N4
SMILES
CCN1C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)C#N)C4=CC=CC=C41
InChI
InChI=1S/C21H16N4/c1-2-25-20-6-4-3-5-18(20)19-13-17(11-12-21(19)25)24-23-16-9-7-15(14-22)8-10-16/h3-13H,2H2,1H3
InChIKey
TUUFSFXGKKPFKX-UHFFFAOYSA-N
Compound name
4-[(9-ethylcarbazol-3-yl)diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13748 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14476 184.0
[M+Na]+ 347.12670 196.6
[M-H]- 323.13020 191.4
[M+NH4]+ 342.17130 199.2
[M+K]+ 363.10064 186.6
[M+H-H2O]+ 307.13474 167.5
[M+HCOO]- 369.13568 206.6
[M+CH3COO]- 383.15133 194.3
[M+Na-2H]- 345.11215 189.4
[M]+ 324.13693 182.4
[M]- 324.13803 182.4
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.