CID 3063392

3-isopropylamino-1-(2-(2-methoxyethyl)-5-thienyloxy)-2-propanol

Structural Information

Molecular Formula
C13H23NO3S
SMILES
CC(C)NCC(COC1=CC=C(S1)CCOC)O
InChI
InChI=1S/C13H23NO3S/c1-10(2)14-8-11(15)9-17-13-5-4-12(18-13)6-7-16-3/h4-5,10-11,14-15H,6-9H2,1-3H3
InChIKey
JKRXBVOCPHLZHS-UHFFFAOYSA-N
Compound name
1-[5-(2-methoxyethyl)thiophen-2-yl]oxy-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13986 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14714 165.9
[M+Na]+ 296.12908 170.3
[M-H]- 272.13258 167.6
[M+NH4]+ 291.17368 183.5
[M+K]+ 312.10302 168.2
[M+H-H2O]+ 256.13712 159.4
[M+HCOO]- 318.13806 182.6
[M+CH3COO]- 332.15371 198.3
[M+Na-2H]- 294.11453 163.7
[M]+ 273.13931 171.0
[M]- 273.14041 171.0
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.