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 182.3
[M+Na]+ 344.21962 182.1
[M-H]- 320.22312 185.5
[M+NH4]+ 339.26422 188.5
[M+K]+ 360.19356 182.9
[M+H-H2O]+ 304.22766 168.1
[M+HCOO]- 366.22860 199.5
[M+CH3COO]- 380.24425 213.2
[M+Na-2H]- 342.20507 181.0
[M]+ 321.22985 191.9
[M]- 321.23095 191.9
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