CID 15129

Noracymethadol

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCC(C(CC(C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3
InChIKey
VWCUGCYZZGRKEE-UHFFFAOYSA-N
Compound name
[6-(methylamino)-4,4-diphenylheptan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

28
References

1123
Patents

339.21982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 186.1
[M+Na]+ 362.209038 188.0
[M-H]- 338.212544 191.3
[M+NH4]+ 357.253643 198.5
[M+K]+ 378.182978 184.9
[M+H-H2O]+ 322.217080 177.5
[M+HCOO]- 384.218021 204.7
[M+CH3COO]- 398.233671 216.3
[M+Na-2H]- 360.194486 187.4
[M]+ 339.21927142 186.9
[M]- 339.22036858 186.9
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