CID 129318558

1-[4-(2-cyclobutoxyethyl)phenoxy]-3-(isopropylamino)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOC2CCC2)O
InChI
InChI=1S/C18H29NO3/c1-14(2)19-12-16(20)13-22-18-8-6-15(7-9-18)10-11-21-17-4-3-5-17/h6-9,14,16-17,19-20H,3-5,10-13H2,1-2H3
InChIKey
JUKWONDNGCQGKF-UHFFFAOYSA-N
Compound name
1-[4-(2-cyclobutyloxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.21475 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 177.7
[M+Na]+ 330.203968 177.9
[M-H]- 306.207474 181.2
[M+NH4]+ 325.248573 184.5
[M+K]+ 346.177908 179.0
[M+H-H2O]+ 290.212010 163.7
[M+HCOO]- 352.212951 195.3
[M+CH3COO]- 366.228601 210.3
[M+Na-2H]- 328.189416 177.0
[M]+ 307.21420142 187.0
[M]- 307.21529858 187.0
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

patents stripe