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]+ 308.22203 177.7
[M+Na]+ 330.20397 177.9
[M-H]- 306.20747 181.2
[M+NH4]+ 325.24857 184.5
[M+K]+ 346.17791 179.0
[M+H-H2O]+ 290.21201 163.7
[M+HCOO]- 352.21295 195.3
[M+CH3COO]- 366.22860 210.3
[M+Na-2H]- 328.18942 177.0
[M]+ 307.21420 187.0
[M]- 307.21530 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