CID 3058490

Brn 4940106

Structural Information

Molecular Formula
C20H28N2O
SMILES
C1CCC(CC1)CN=C2N3CCCC[C@@H]3[C@@H](O2)C4=CC=CC=C4
InChI
InChI=1S/C20H28N2O/c1-3-9-16(10-4-1)15-21-20-22-14-8-7-13-18(22)19(23-20)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-19H,1,3-4,7-10,13-15H2/t18-,19+/m1/s1
InChIKey
NGPNRTOIPMJFDX-MOPGFXCFSA-N
Compound name
(1S,8aR)-N-(cyclohexylmethyl)-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 179.3
[M+Na]+ 335.20937 190.2
[M+NH4]+ 330.25397 188.8
[M+K]+ 351.18331 183.3
[M-H]- 311.21287 187.4
[M+Na-2H]- 333.19482 184.9
[M]+ 312.21960 183.0
[M]- 312.22070 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.