CID 71315559

(2rs)-1-[4-(2-butoxyethyl)phenoxy]-3-[(1-methylethyl)amino]propan-2-ol hydrochloride

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCOCCC1=CC=C(C=C1)OCC(CNC(C)C)O
InChI
InChI=1S/C18H31NO3/c1-4-5-11-21-12-10-16-6-8-18(9-7-16)22-14-17(20)13-19-15(2)3/h6-9,15,17,19-20H,4-5,10-14H2,1-3H3
InChIKey
MKCUROGLDRTSBT-UHFFFAOYSA-N
Compound name
1-[4-(2-butoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 179.8
[M+Na]+ 332.21962 182.1
[M-H]- 308.22312 180.5
[M+NH4]+ 327.26422 193.4
[M+K]+ 348.19356 179.7
[M+H-H2O]+ 292.22766 171.9
[M+HCOO]- 354.22860 199.4
[M+CH3COO]- 368.24425 209.6
[M+Na-2H]- 330.20507 179.7
[M]+ 309.22985 183.7
[M]- 309.23095 183.7
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.