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
3
Annotation Hits

602
References

7264
Patents

268.09604 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 182.0
[M+Na]+ 291.08526 193.9
[M+NH4]+ 286.12986 184.1
[M+K]+ 307.05920 183.4
[M-H]- 267.08876 176.9
[M+Na-2H]- 289.07071 184.3
[M]+ 268.09549 181.6
[M]- 268.09659 181.6
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