CID 155774

Xamoterol

Structural Information

Molecular Formula
C16H25N3O5
SMILES
C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)
InChIKey
DXPOSRCHIDYWHW-UHFFFAOYSA-N
Compound name
N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

309
References

7149
Patents

339.1794 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18668 179.0
[M+Na]+ 362.16862 179.2
[M-H]- 338.17212 180.6
[M+NH4]+ 357.21322 186.8
[M+K]+ 378.14256 178.1
[M+H-H2O]+ 322.17666 169.3
[M+HCOO]- 384.17760 194.4
[M+CH3COO]- 398.19325 208.9
[M+Na-2H]- 360.15407 181.1
[M]+ 339.17885 175.9
[M]- 339.17995 175.9
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