CID 256758

7-(phenyl(8-quinolinylamino)methyl)-8-quinolinol

Structural Information

Molecular Formula
C25H19N3O
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=C4N=CC=C5
InChI
InChI=1S/C25H19N3O/c29-25-20(14-13-19-11-6-16-27-24(19)25)22(17-7-2-1-3-8-17)28-21-12-4-9-18-10-5-15-26-23(18)21/h1-16,22,28-29H
InChIKey
RBSPENDGIMQZGB-UHFFFAOYSA-N
Compound name
7-[phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

377.1528 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16008 189.5
[M+Na]+ 400.14202 196.8
[M-H]- 376.14552 196.6
[M+NH4]+ 395.18662 198.4
[M+K]+ 416.11596 188.2
[M+H-H2O]+ 360.15006 177.2
[M+HCOO]- 422.15100 207.5
[M+CH3COO]- 436.16665 198.1
[M+Na-2H]- 398.12747 198.2
[M]+ 377.15225 188.4
[M]- 377.15335 188.4
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

No patent data available for this compound.