CID 135644

Phenol, o-(9-acridinylamino)-

Structural Information

Molecular Formula
C19H14N2O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=CC=C4O
InChI
InChI=1S/C19H14N2O/c22-18-12-6-5-11-17(18)21-19-13-7-1-3-9-15(13)20-16-10-4-2-8-14(16)19/h1-12,22H,(H,20,21)
InChIKey
XOVABTQUHPCHMK-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

286.11063 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11791 163.6
[M+Na]+ 309.09985 173.1
[M-H]- 285.10335 169.9
[M+NH4]+ 304.14445 178.8
[M+K]+ 325.07379 166.0
[M+H-H2O]+ 269.10789 154.3
[M+HCOO]- 331.10883 185.3
[M+CH3COO]- 345.12448 175.2
[M+Na-2H]- 307.08530 174.2
[M]+ 286.11008 163.7
[M]- 286.11118 163.7
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