CID 20446823

[1,1'-biphenyl]-4-diazonium, 2,5-dibutoxy-4'-methoxy-, chloride

Structural Information

Molecular Formula
C21H27N2O3
SMILES
CCCCOC1=CC(=C(C=C1C2=CC=C(C=C2)OC)OCCCC)[N+]#N
InChI
InChI=1S/C21H27N2O3/c1-4-6-12-25-20-15-19(23-22)21(26-13-7-5-2)14-18(20)16-8-10-17(24-3)11-9-16/h8-11,14-15H,4-7,12-13H2,1-3H3/q+1
InChIKey
UBTQSDWSQRKGQU-UHFFFAOYSA-N
Compound name
2,5-dibutoxy-4-(4-methoxyphenyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

355.20218 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20946 189.2
[M+Na]+ 378.19140 197.6
[M-H]- 354.19490 195.5
[M+NH4]+ 373.23600 200.9
[M+K]+ 394.16534 188.2
[M+H-H2O]+ 338.19944 176.1
[M+HCOO]- 400.20038 209.8
[M+CH3COO]- 414.21603 224.2
[M+Na-2H]- 376.17685 192.8
[M]+ 355.20163 190.1
[M]- 355.20273 190.1
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

patents stripe