CID 3047500

Sl-d.268

Structural Information

Molecular Formula
C21H35NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CCCCC2)O
InChI
InChI=1S/C21H35NO3/c1-17(2)22-14-20(23)16-25-21-10-8-18(9-11-21)12-13-24-15-19-6-4-3-5-7-19/h8-11,17,19-20,22-23H,3-7,12-16H2,1-2H3
InChIKey
XAQUXKYKUDRDHN-UHFFFAOYSA-N
Compound name
1-[4-[2-(cyclohexylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

349.2617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.26898 189.3
[M+Na]+ 372.25092 188.4
[M-H]- 348.25442 191.9
[M+NH4]+ 367.29552 200.5
[M+K]+ 388.22486 185.4
[M+H-H2O]+ 332.25896 180.3
[M+HCOO]- 394.25990 205.0
[M+CH3COO]- 408.27555 215.4
[M+Na-2H]- 370.23637 187.4
[M]+ 349.26115 187.3
[M]- 349.26225 187.3
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