CID 16075554

918907-58-1

Structural Information

Molecular Formula
C28H26N4O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CNCC3=CC=C(C=C3)CNCC4=C5C=CC=NC5=C(C=C4)O
InChI
InChI=1S/C28H26N4O2/c33-25-11-9-21(23-3-1-13-31-27(23)25)17-29-15-19-5-7-20(8-6-19)16-30-18-22-10-12-26(34)28-24(22)4-2-14-32-28/h1-14,29-30,33-34H,15-18H2
InChIKey
KENDWMBZHXRDQC-UHFFFAOYSA-N
Compound name
5-[[[4-[[(8-hydroxyquinolin-5-yl)methylamino]methyl]phenyl]methylamino]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

450.20557 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 207.7
[M+Na]+ 473.19479 214.2
[M-H]- 449.19829 213.6
[M+NH4]+ 468.23939 213.2
[M+K]+ 489.16873 205.0
[M+H-H2O]+ 433.20283 194.9
[M+HCOO]- 495.20377 225.4
[M+CH3COO]- 509.21942 214.5
[M+Na-2H]- 471.18024 215.3
[M]+ 450.20502 208.1
[M]- 450.20612 208.1
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