CID 339622

2-(5-bromo-2-pyridylazo)-5-diethylaminophenol

Structural Information

Molecular Formula
C15H17BrN4O
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)O
InChI
InChI=1S/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3
InChIKey
HNVCXDAVEHOIBP-UHFFFAOYSA-N
Compound name
2-[(5-bromopyridin-2-yl)diazenyl]-5-(diethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

72
References

178
Patents

348.05856 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06584 170.2
[M+Na]+ 371.04778 179.7
[M-H]- 347.05128 180.4
[M+NH4]+ 366.09238 186.2
[M+K]+ 387.02172 168.4
[M+H-H2O]+ 331.05582 165.7
[M+HCOO]- 393.05676 195.2
[M+CH3COO]- 407.07241 220.3
[M+Na-2H]- 369.03323 177.2
[M]+ 348.05801 191.0
[M]- 348.05911 191.0
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