CID 3072983

1-((1-methylethyl)amino)-3-((3-methyl-1h-indol-4-yl)oxy)-2-propanol monohydrochloride

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=CNC2=C1C(=CC=C2)OCC(CNC(C)C)O
InChI
InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-14-6-4-5-13-15(14)11(3)7-17-13/h4-7,10,12,16-18H,8-9H2,1-3H3
InChIKey
QMHJCIVEEBUCFP-UHFFFAOYSA-N
Compound name
1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 162.6
[M+Na]+ 285.15734 169.1
[M-H]- 261.16084 163.3
[M+NH4]+ 280.20194 179.4
[M+K]+ 301.13128 165.2
[M+H-H2O]+ 245.16538 155.8
[M+HCOO]- 307.16632 182.3
[M+CH3COO]- 321.18197 197.1
[M+Na-2H]- 283.14279 165.0
[M]+ 262.16757 164.1
[M]- 262.16867 164.1
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