CID 126960482

4-(dimethylamino)azobenzene n-oxide

Structural Information

Molecular Formula
C14H16N3O
SMILES
C[N+](C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)O
InChI
InChI=1S/C14H16N3O/c1-17(2,18)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11,18H,1-2H3/q+1
InChIKey
IPPCMZWMGQFECX-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-(4-phenyldiazenylphenyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12933 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13661 151.5
[M+Na]+ 265.11855 157.7
[M-H]- 241.12205 161.2
[M+NH4]+ 260.16315 169.1
[M+K]+ 281.09249 150.1
[M+H-H2O]+ 225.12659 146.0
[M+HCOO]- 287.12753 180.2
[M+CH3COO]- 301.14318 197.0
[M+Na-2H]- 263.10400 164.0
[M]+ 242.12878 151.0
[M]- 242.12988 151.0
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.