CID 15130

Levomethadyl acetate

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC[C@@H](C(C[C@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m0/s1
InChIKey
XBMIVRRWGCYBTQ-AVRDEDQJSA-N
Compound name
[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

443
References

8662
Patents

353.23547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 189.3
[M+Na]+ 376.22469 200.0
[M+NH4]+ 371.26929 196.1
[M+K]+ 392.19863 193.8
[M-H]- 352.22819 193.1
[M+Na-2H]- 374.21014 196.5
[M]+ 353.23492 191.9
[M]- 353.23602 191.9
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