CID 3054704

Brn 1160254

Structural Information

Molecular Formula
C21H27NO3
SMILES
CC(C)N1CCOC(C1)C(C2=CC=CC=C2)OC3=CC=CC=C3OC
InChI
InChI=1S/C21H27NO3/c1-16(2)22-13-14-24-20(15-22)21(17-9-5-4-6-10-17)25-19-12-8-7-11-18(19)23-3/h4-12,16,20-21H,13-15H2,1-3H3
InChIKey
FETYGEGQBDNCCS-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenoxy)-phenylmethyl]-4-propan-2-ylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

341.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.20638 184.2
[M+Na]+ 364.18832 187.0
[M-H]- 340.19182 191.7
[M+NH4]+ 359.23292 193.8
[M+K]+ 380.16226 185.1
[M+H-H2O]+ 324.19636 173.6
[M+HCOO]- 386.19730 199.4
[M+CH3COO]- 400.21295 212.7
[M+Na-2H]- 362.17377 184.8
[M]+ 341.19855 183.4
[M]- 341.19965 183.4
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