CID 342817

1-(9-acridinyloxy)-3-((1-methylethyl)amino)-2-propanol

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC(C)NCC(COC1=C2C=CC=CC2=NC3=CC=CC=C31)O
InChI
InChI=1S/C19H22N2O2/c1-13(2)20-11-14(22)12-23-19-15-7-3-5-9-17(15)21-18-10-6-4-8-16(18)19/h3-10,13-14,20,22H,11-12H2,1-2H3
InChIKey
JUSVXBAWLVGDTE-UHFFFAOYSA-N
Compound name
1-acridin-9-yloxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 173.1
[M+Na]+ 333.157338 179.5
[M-H]- 309.160844 175.4
[M+NH4]+ 328.201943 187.4
[M+K]+ 349.131278 174.7
[M+H-H2O]+ 293.165380 164.5
[M+HCOO]- 355.166321 191.8
[M+CH3COO]- 369.181971 209.4
[M+Na-2H]- 331.142786 179.6
[M]+ 310.16757142 175.6
[M]- 310.16866858 175.6
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.