CID 106359

9-(2-pyrimidinylazo)-10-hydroxyphenanthrene

Structural Information

Molecular Formula
C18H12N4O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=NC4=NC=CC=N4)O
InChI
InChI=1S/C18H12N4O/c23-17-15-9-4-2-7-13(15)12-6-1-3-8-14(12)16(17)21-22-18-19-10-5-11-20-18/h1-11,23H
InChIKey
GWIIYQVJXNQHDH-UHFFFAOYSA-N
Compound name
10-(pyrimidin-2-yldiazenyl)phenanthren-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

300.1011 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10838 166.6
[M+Na]+ 323.09032 176.8
[M-H]- 299.09382 174.2
[M+NH4]+ 318.13492 180.7
[M+K]+ 339.06426 170.6
[M+H-H2O]+ 283.09836 155.5
[M+HCOO]- 345.09930 191.4
[M+CH3COO]- 359.11495 178.6
[M+Na-2H]- 321.07577 179.2
[M]+ 300.10055 168.9
[M]- 300.10165 168.9
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