CID 5487455

138779-29-0

Structural Information

Molecular Formula
C24H34N2O4
SMILES
C[C@H]([C@@](C1=CC=CC=C1OCC(=O)N)(C2=C(C=CC(=C2)C(C)(C)C)OC)O)N(C)C
InChI
InChI=1S/C24H34N2O4/c1-16(26(5)6)24(28,18-10-8-9-11-21(18)30-15-22(25)27)19-14-17(23(2,3)4)12-13-20(19)29-7/h8-14,16,28H,15H2,1-7H3,(H2,25,27)/t16-,24-/m1/s1
InChIKey
DLGGQRFVOGBFAX-VOIUYBSRSA-N
Compound name
2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

414.25186 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.25914 202.7
[M+Na]+ 437.24108 211.1
[M+NH4]+ 432.28568 207.0
[M+K]+ 453.21502 207.9
[M-H]- 413.24458 204.8
[M+Na-2H]- 435.22653 207.2
[M]+ 414.25131 204.4
[M]- 414.25241 204.4
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