CID 84359

5-diethylamino-2-(5-bromo-2-pyridylazo)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe