CID 27241

15382-89-5

Structural Information

Molecular Formula
C20H25NO4
SMILES
CC(=O)OC(CCCCOC1=C(C=C(C=C1)N)OC)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO4/c1-15(22)25-18(16-8-4-3-5-9-16)10-6-7-13-24-19-12-11-17(21)14-20(19)23-2/h3-5,8-9,11-12,14,18H,6-7,10,13,21H2,1-2H3
InChIKey
XGBKDGNFNMLQKG-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-methoxyphenoxy)-1-phenylpentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.17834 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.185616 184.1
[M+Na]+ 366.167558 188.3
[M-H]- 342.171064 189.6
[M+NH4]+ 361.212163 196.5
[M+K]+ 382.141498 185.7
[M+H-H2O]+ 326.175600 174.9
[M+HCOO]- 388.176541 205.8
[M+CH3COO]- 402.192191 215.1
[M+Na-2H]- 364.153006 184.4
[M]+ 343.17779142 187.9
[M]- 343.17888858 187.9
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

No patent data available for this compound.