CID 3072990

145296-55-5

Structural Information

Molecular Formula
C18H27N3O3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C(=CN2)CC(=O)N(C)C)O
InChI
InChI=1S/C18H27N3O3/c1-12(2)19-10-14(22)11-24-16-7-5-6-15-18(16)13(9-20-15)8-17(23)21(3)4/h5-7,9,12,14,19-20,22H,8,10-11H2,1-4H3
InChIKey
OJGYFFDFJAOJEW-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-3-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20523 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21251 182.1
[M+Na]+ 356.19445 186.2
[M-H]- 332.19795 183.8
[M+NH4]+ 351.23905 196.0
[M+K]+ 372.16839 184.0
[M+H-H2O]+ 316.20249 174.3
[M+HCOO]- 378.20343 201.7
[M+CH3COO]- 392.21908 216.2
[M+Na-2H]- 354.17990 181.7
[M]+ 333.20468 185.1
[M]- 333.20578 185.1
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

No patent data available for this compound.