CID 71693

Fomocaine

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1COCCN1CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C20H25NO2/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-12-21-13-15-22-16-14-21/h1-3,6-11H,4-5,12-17H2
InChIKey
CVHGCWVMTZWGAY-UHFFFAOYSA-N
Compound name
4-[3-[4-(phenoxymethyl)phenyl]propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

1369
Patents

311.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.6
[M+Na]+ 334.17776 192.2
[M+NH4]+ 329.22236 186.2
[M+K]+ 350.15170 182.8
[M-H]- 310.18126 185.4
[M+Na-2H]- 332.16321 187.1
[M]+ 311.18799 182.1
[M]- 311.18909 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe