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]+ 242.128776 150.4
[M+Na]+ 264.110718 156.3
[M-H]- 240.114224 159.7
[M+NH4]+ 259.155323 167.9
[M+K]+ 280.084658 149.6
[M+H-H2O]+ 224.118760 146.9
[M+HCOO]- 286.119701 179.8
[M+CH3COO]- 300.135351 196.6
[M+Na-2H]- 262.096166 162.4
[M]+ 241.12095142 149.3
[M]- 241.12204858 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.