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]+ 251.17540 160.1
[M+Na]+ 273.15734 164.0
[M-H]- 249.16084 159.7
[M+NH4]+ 268.20194 176.8
[M+K]+ 289.13128 160.7
[M+H-H2O]+ 233.16538 153.2
[M+HCOO]- 295.16632 177.2
[M+CH3COO]- 309.18197 193.5
[M+Na-2H]- 271.14279 161.8
[M]+ 250.16757 157.9
[M]- 250.16867 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