CID 172054409

Schembl30705138

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CC(C)[C@H]1CO[C@@]23N1C(=O)CC[C@@H]2CN(CC3)CC4CCCCC4
InChI
InChI=1S/C20H34N2O2/c1-15(2)18-14-24-20-10-11-21(12-16-6-4-3-5-7-16)13-17(20)8-9-19(23)22(18)20/h15-18H,3-14H2,1-2H3/t17-,18-,20-/m1/s1
InChIKey
LLMMARAQKHNEAH-QWFCFKBJSA-N
Compound name
(3S,7aR,11aR)-9-(cyclohexylmethyl)-3-propan-2-yl-2,3,6,7,7a,8,10,11-octahydro-[1,3]oxazolo[2,3-j][1,6]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.26202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26930 186.3
[M+Na]+ 357.25124 186.9
[M-H]- 333.25474 190.0
[M+NH4]+ 352.29584 200.3
[M+K]+ 373.22518 184.0
[M+H-H2O]+ 317.25928 176.4
[M+HCOO]- 379.26022 191.8
[M+CH3COO]- 393.27587 192.7
[M+Na-2H]- 355.23669 182.3
[M]+ 334.26147 176.9
[M]- 334.26257 176.9
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

patents stripe