CID 82123

Benzenamine, n,n-dimethyl-4-[2-(1-oxido-2-pyridinyl)diazenyl]-

Structural Information

Molecular Formula
C13H14N4O
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C13H14N4O/c1-16(2)12-8-6-11(7-9-12)14-15-13-5-3-4-10-17(13)18/h3-10H,1-2H3
InChIKey
LVGWWPXLMKGCHW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(1-oxidopyridin-1-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

242.11676 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 152.6
[M+Na]+ 265.105978 159.2
[M-H]- 241.109484 160.9
[M+NH4]+ 260.150583 168.6
[M+K]+ 281.079918 152.8
[M+H-H2O]+ 225.114020 147.8
[M+HCOO]- 287.114961 181.8
[M+CH3COO]- 301.130611 197.7
[M+Na-2H]- 263.091426 162.7
[M]+ 242.11621142 152.2
[M]- 242.11730858 152.2
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