CID 3061528

1-(4-indolinyloxy)-3-(isopropylamino)-2-propanol

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)NCC(COC1=CC=CC2=C1CCN2)O
InChI
InChI=1S/C14H22N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15-17H,6-9H2,1-2H3
InChIKey
DHDYCPVWISCFDV-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

250.16812 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.175396 160.1
[M+Na]+ 273.157338 164.0
[M-H]- 249.160844 159.7
[M+NH4]+ 268.201943 176.8
[M+K]+ 289.131278 160.7
[M+H-H2O]+ 233.165380 153.2
[M+HCOO]- 295.166321 177.2
[M+CH3COO]- 309.181971 193.5
[M+Na-2H]- 271.142786 161.8
[M]+ 250.16757142 157.9
[M]- 250.16866858 157.9
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

patents stripe