CID 70331967

Schembl8281048

Structural Information

Molecular Formula
C20H35NO3
SMILES
CCCCC(CC)COCC(CN(CCO)CC1=CC=CC=C1)O
InChI
InChI=1S/C20H35NO3/c1-3-5-9-18(4-2)16-24-17-20(23)15-21(12-13-22)14-19-10-7-6-8-11-19/h6-8,10-11,18,20,22-23H,3-5,9,12-17H2,1-2H3
InChIKey
SCBKAXLZFJBCTI-UHFFFAOYSA-N
Compound name
1-[benzyl(2-hydroxyethyl)amino]-3-(2-ethylhexoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

337.2617 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 189.7
[M+Na]+ 360.25092 190.0
[M-H]- 336.25442 189.7
[M+NH4]+ 355.29552 201.8
[M+K]+ 376.22486 187.6
[M+H-H2O]+ 320.25896 181.3
[M+HCOO]- 382.25990 207.6
[M+CH3COO]- 396.27555 215.1
[M+Na-2H]- 358.23637 187.9
[M]+ 337.26115 193.2
[M]- 337.26225 193.2
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.