CID 87103

Nsc680467

Structural Information

Molecular Formula
C17H16N4
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3
InChI
InChI=1S/C17H16N4/c1-21(2)14-10-8-13(9-11-14)19-20-17-7-3-6-16-15(17)5-4-12-18-16/h3-12H,1-2H3
InChIKey
BXRFPVFMVQNKGL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(quinolin-5-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13748 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14476 162.9
[M+Na]+ 299.12670 170.2
[M-H]- 275.13020 173.0
[M+NH4]+ 294.17130 179.5
[M+K]+ 315.10064 167.0
[M+H-H2O]+ 259.13474 152.4
[M+HCOO]- 321.13568 191.4
[M+CH3COO]- 335.15133 175.6
[M+Na-2H]- 297.11215 172.7
[M]+ 276.13693 165.0
[M]- 276.13803 165.0
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.