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

8
Patents

262.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 162.6
[M+Na]+ 285.157338 169.1
[M-H]- 261.160844 163.3
[M+NH4]+ 280.201943 179.4
[M+K]+ 301.131278 165.2
[M+H-H2O]+ 245.165380 155.8
[M+HCOO]- 307.166321 182.3
[M+CH3COO]- 321.181971 197.1
[M+Na-2H]- 283.142786 165.0
[M]+ 262.16757142 164.1
[M]- 262.16866858 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