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]+ 344.18562 184.1
[M+Na]+ 366.16756 188.3
[M-H]- 342.17106 189.6
[M+NH4]+ 361.21216 196.5
[M+K]+ 382.14150 185.7
[M+H-H2O]+ 326.17560 174.9
[M+HCOO]- 388.17654 205.8
[M+CH3COO]- 402.19219 215.1
[M+Na-2H]- 364.15301 184.4
[M]+ 343.17779 187.9
[M]- 343.17889 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.