CID 135589912

2-(1h-imidazo(4,5-f)(1,10)phenanthrolin-2-yl)-6-methoxyphenol

Structural Information

Molecular Formula
C20H14N4O2
SMILES
COC1=CC=CC(=C1O)C2=NC3=C4C=CC=NC4=C5C(=C3N2)C=CC=N5
InChI
InChI=1S/C20H14N4O2/c1-26-14-8-2-5-13(19(14)25)20-23-17-11-6-3-9-21-15(11)16-12(18(17)24-20)7-4-10-22-16/h2-10,25H,1H3,(H,23,24)
InChIKey
TWLWSVJREFONKJ-UHFFFAOYSA-N
Compound name
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.11166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 181.0
[M+Na]+ 365.10088 194.0
[M-H]- 341.10438 184.5
[M+NH4]+ 360.14548 192.5
[M+K]+ 381.07482 185.2
[M+H-H2O]+ 325.10892 170.4
[M+HCOO]- 387.10986 197.6
[M+CH3COO]- 401.12551 191.3
[M+Na-2H]- 363.08633 188.8
[M]+ 342.11111 184.9
[M]- 342.11221 184.9
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