CID 3047497

63659-34-7

Structural Information

Molecular Formula
C19H31NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CCC2)O
InChI
InChI=1S/C19H31NO3/c1-15(2)20-12-18(21)14-23-19-8-6-16(7-9-19)10-11-22-13-17-4-3-5-17/h6-9,15,17-18,20-21H,3-5,10-14H2,1-2H3
InChIKey
QHLVYAZGIZCFCW-UHFFFAOYSA-N
Compound name
1-[4-[2-(cyclobutylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

321.2304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 183.5
[M+Na]+ 344.21962 187.4
[M+NH4]+ 339.26422 185.7
[M+K]+ 360.19356 183.2
[M-H]- 320.22312 183.0
[M+Na-2H]- 342.20507 184.6
[M]+ 321.22985 182.4
[M]- 321.23095 182.4
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