CID 4886

Pramocaine

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCCOC1=CC=C(C=C1)OCCCN2CCOCC2
InChI
InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKey
DQKXQSGTHWVTAD-UHFFFAOYSA-N
Compound name
4-[3-(4-butoxyphenoxy)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

80
References

17694
Patents

293.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 172.1
[M+Na]+ 316.18832 175.1
[M-H]- 292.19182 176.1
[M+NH4]+ 311.23292 184.3
[M+K]+ 332.16226 173.6
[M+H-H2O]+ 276.19636 162.6
[M+HCOO]- 338.19730 189.5
[M+CH3COO]- 352.21295 201.8
[M+Na-2H]- 314.17377 175.6
[M]+ 293.19855 173.6
[M]- 293.19965 173.6
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