CID 66685

Fast blue b

Structural Information

Molecular Formula
C14H12N4O2
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]#N)OC)[N+]#N
InChI
InChI=1S/C14H12N4O2/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2/h3-8H,1-2H3/q+2
InChIKey
QMMMCTXNYMSXLI-UHFFFAOYSA-N
Compound name
4-(4-diazonio-3-methoxyphenyl)-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

602
References

7295
Patents

268.09604 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.103316 176.0
[M+Na]+ 291.085258 185.9
[M-H]- 267.088764 182.2
[M+NH4]+ 286.129863 186.3
[M+K]+ 307.059198 175.3
[M+H-H2O]+ 251.093300 162.7
[M+HCOO]- 313.094241 191.0
[M+CH3COO]- 327.109891 223.2
[M+Na-2H]- 289.070706 180.4
[M]+ 268.09549142 169.1
[M]- 268.09658858 169.1
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

patents stripe