CID 88669

Disperse black 9

Structural Information

Molecular Formula
C16H20N4O2
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)N(CCO)CCO
InChI
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2
InChIKey
NZKTVPCPQIEVQT-UHFFFAOYSA-N
Compound name
2-[4-[(4-aminophenyl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4138
Patents

300.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 168.4
[M+Na]+ 323.14785 172.8
[M-H]- 299.15135 175.8
[M+NH4]+ 318.19245 182.4
[M+K]+ 339.12179 170.2
[M+H-H2O]+ 283.15589 158.9
[M+HCOO]- 345.15683 196.6
[M+CH3COO]- 359.17248 216.1
[M+Na-2H]- 321.13330 173.9
[M]+ 300.15808 168.4
[M]- 300.15918 168.4
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