CID 4642

Oxyphencyclimine

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3
InChIKey
DUDKAZCAISNGQN-UHFFFAOYSA-N
Compound name
(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

49
References

3444
Patents

344.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 184.8
[M+Na]+ 367.19922 195.0
[M+NH4]+ 362.24382 190.9
[M+K]+ 383.17316 189.2
[M-H]- 343.20272 187.8
[M+Na-2H]- 365.18467 191.1
[M]+ 344.20945 186.9
[M]- 344.21055 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