CID 121877

Zd7114

Structural Information

Molecular Formula
C22H30N2O6
SMILES
COCCNC(=O)COC1=CC=C(C=C1)OCCNC[C@@H](COC2=CC=CC=C2)O
InChI
InChI=1S/C22H30N2O6/c1-27-13-12-24-22(26)17-30-21-9-7-20(8-10-21)28-14-11-23-15-18(25)16-29-19-5-3-2-4-6-19/h2-10,18,23,25H,11-17H2,1H3,(H,24,26)/t18-/m0/s1
InChIKey
RVMBDLSFFNKKLG-SFHVURJKSA-N
Compound name
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]-N-(2-methoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

661
Patents

418.2104 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21768 202.5
[M+Na]+ 441.19962 210.2
[M+NH4]+ 436.24422 206.2
[M+K]+ 457.17356 204.7
[M-H]- 417.20312 204.4
[M+Na-2H]- 439.18507 206.9
[M]+ 418.20985 203.6
[M]- 418.21095 203.6
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