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]+ 371.17540 188.4
[M+Na]+ 393.15734 192.1
[M-H]- 369.16084 196.2
[M+NH4]+ 388.20194 198.2
[M+K]+ 409.13128 186.7
[M+H-H2O]+ 353.16538 176.7
[M+HCOO]- 415.16632 208.0
[M+CH3COO]- 429.18197 196.9
[M+Na-2H]- 391.14279 194.2
[M]+ 370.16757 188.2
[M]- 370.16867 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.