CID 17667

C.i. solvent yellow 2, n-oxide

Structural Information

Molecular Formula
C14H15N3O
SMILES
C[N+](C)(C1=CC=C(C=C1)N=NC2=CC=CC=C2)[O-]
InChI
InChI=1S/C14H15N3O/c1-17(2,18)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
XHTVNOLAJVJNLK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-phenyldiazenylbenzeneamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.1215 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 150.4
[M+Na]+ 264.11072 156.3
[M-H]- 240.11422 159.7
[M+NH4]+ 259.15532 167.9
[M+K]+ 280.08466 149.6
[M+H-H2O]+ 224.11876 146.9
[M+HCOO]- 286.11970 179.8
[M+CH3COO]- 300.13535 196.6
[M+Na-2H]- 262.09617 162.4
[M]+ 241.12095 149.3
[M]- 241.12205 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.