CID 3069813

1-(diphenylamino)-3-(8-quinolinyloxy)-2-propanol

Structural Information

Molecular Formula
C24H22N2O2
SMILES
C1=CC=C(C=C1)N(CC(COC2=CC=CC3=C2N=CC=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C24H22N2O2/c27-22(18-28-23-15-7-9-19-10-8-16-25-24(19)23)17-26(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-16,22,27H,17-18H2
InChIKey
DWJVQCGHBOADCV-UHFFFAOYSA-N
Compound name
1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16812 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.175396 188.4
[M+Na]+ 393.157338 192.1
[M-H]- 369.160844 196.2
[M+NH4]+ 388.201943 198.2
[M+K]+ 409.131278 186.7
[M+H-H2O]+ 353.165380 176.7
[M+HCOO]- 415.166321 208.0
[M+CH3COO]- 429.181971 196.9
[M+Na-2H]- 391.142786 194.2
[M]+ 370.16757142 188.2
[M]- 370.16866858 188.2
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.