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

literature stripe

Patent stripe

patents stripe